N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide

C26H30N4O2 — CID 44528177

IUPACN-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnc(N(C)C3CCN(Cc4cccc(O)c4)CC3)c2)c1
InChIInChI=1S/C26H30N4O2/c1-19-5-3-7-21(15-19)26(32)28-22-9-12-27-25(17-22)29(2)23-10-13-30(14-11-23)18-20-6-4-8-24(31)16-20/h3-9,12,15-17,23,31H,10-11,13-14,18H2,1-2H3,(H,27,28,32)
InChIKeyISADBOWCBPACME-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide

N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide (PubChem CID 44528177) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide
PubChem CID44528177
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnc(N(C)C3CCN(Cc4cccc(O)c4)CC3)c2)c1
InChIInChI=1S/C26H30N4O2/c1-19-5-3-7-21(15-19)26(32)28-22-9-12-27-25(17-22)29(2)23-10-13-30(14-11-23)18-20-6-4-8-24(31)16-20/h3-9,12,15-17,23,31H,10-11,13-14,18H2,1-2H3,(H,27,28,32)
InChIKeyISADBOWCBPACME-UHFFFAOYSA-N
XLogP4.45
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide 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

3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide
CID 44528288
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
CID 145450109
N-[2-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 45481497
N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide
CID 44528244
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 56707701
4-[[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 44530001
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3-[[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-(4-methylphenyl)benzamide;2,2,2-trifluoroacetic acid
CID 44529407
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-ethoxy-N-[3-[[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44536820

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide (CID 44528177) is N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccnc(N(C)C3CCN(Cc4cccc(O)c4)CC3)c2)c1.
What is the InChIKey of N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide?
The InChIKey is ISADBOWCBPACME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-5-3-7-21(15-19)26(32)28-22-9-12-27-25(17-22)29(2)23-10-13-30(14-11-23)18-20-6-4-8-24(31)16-20/h3-9,12,15-17,23,31H,10-11,13-14,18H2,1-2H3,(H,27,28,32).
What are the key properties of N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide?
N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 44528177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).