N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide

C37H41Cl2N7O5 — CID 171490410

IUPACN-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)n4)c3Cl)c2Cl)ncc1CN1CC[C@H](O)C1
InChIInChI=1S/C37H41Cl2N7O5/c1-22(47)46-15-10-25(11-16-46)41-18-23-7-8-29(44-37(23)51-3)27-9-13-40-35(34(27)39)28-5-4-6-30(33(28)38)43-36(49)31-17-32(50-2)24(19-42-31)20-45-14-12-26(48)21-45/h4-9,13,17,19,25-26,41,48H,10-12,14-16,18,20-21H2,1-3H3,(H,43,49)/t26-/m0/s1
InChIKeyCURLESUTVRBBEI-SANMLTNESA-N
MW734.69 g/mol
LogP5.45
Rot. Bonds11

About N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide

N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide (PubChem CID 171490410) has the molecular formula C37H41Cl2N7O5 and a molecular weight of 734.69 g/mol. Its IUPAC name is N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide
PubChem CID171490410
Molecular FormulaC37H41Cl2N7O5
Molecular Weight734.69 g/mol
Exact Mass733.25
IUPAC NameN-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)n4)c3Cl)c2Cl)ncc1CN1CC[C@H](O)C1
InChIInChI=1S/C37H41Cl2N7O5/c1-22(47)46-15-10-25(11-16-46)41-18-23-7-8-29(44-37(23)51-3)27-9-13-40-35(34(27)39)28-5-4-6-30(33(28)38)43-36(49)31-17-32(50-2)24(19-42-31)20-45-14-12-26(48)21-45/h4-9,13,17,19,25-26,41,48H,10-12,14-16,18,20-21H2,1-3H3,(H,43,49)/t26-/m0/s1
InChIKeyCURLESUTVRBBEI-SANMLTNESA-N
XLogP5.45
TPSA142.04 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.69
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-[[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]carbamoyl]-4-methoxy-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
CID 171490023
N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[3-(hydroxymethyl)azetidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide
CID 171489840
N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-4-methoxy-5-[[3-(methoxymethyl)azetidin-1-yl]methyl]pyridine-2-carboxamide
CID 171490002
N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 171490236
N-[3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide
CID 171490418
4-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-methoxypyridine-2-carboxamide
CID 171489718
5-[[(1-acetylpiperidin-4-yl)amino]methyl]-N-[3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
CID 171489590
N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide
CID 171489820
N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-5-methoxypyridine-2-carboxamide
CID 171490196
N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxypyridine-2-carboxamide
CID 171489977
1-[4-[[2-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]-2-pyridinyl]-2-pyridinyl]anilino]-3-fluoro-4-pyridinyl]methylamino]piperidin-1-yl]ethanone
CID 171815456
1-[(3S)-3-[[4-[4-[3-[5-[[[(3R)-1-acetylpyrrolidin-3-yl]amino]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-3-chloro-2-pyridinyl]-2-methoxyphenyl]methylamino]pyrrolidin-1-yl]ethanone
CID 170696313

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide (CID 171490410) is N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)n4)c3Cl)c2Cl)ncc1CN1CC[C@H](O)C1.
What is the InChIKey of N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is CURLESUTVRBBEI-SANMLTNESA-N. The full InChI is InChI=1S/C37H41Cl2N7O5/c1-22(47)46-15-10-25(11-16-46)41-18-23-7-8-29(44-37(23)51-3)27-9-13-40-35(34(27)39)28-5-4-6-30(33(28)38)43-36(49)31-17-32(50-2)24(19-42-31)20-45-14-12-26(48)21-45/h4-9,13,17,19,25-26,41,48H,10-12,14-16,18,20-21H2,1-3H3,(H,43,49)/t26-/m0/s1.
What are the key properties of N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide?
N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 734.69 g/mol, XLogP of 5.45, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-3-chloro-2-pyridinyl]-2-chlorophenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 171490410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).