N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

C39H42Cl2N6O3 — CID 170265453

IUPACN-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(NC(=O)c3cc(C4CC4)c(CN4CCCCC4)cn3)c2Cl)c1Cl)c1cc2c(cn1)CN(CCCO)CC2
InChIInChI=1S/C39H42Cl2N6O3/c40-36-29(7-4-9-32(36)44-38(49)34-19-26-13-17-47(16-6-18-48)23-27(26)21-42-34)30-8-5-10-33(37(30)41)45-39(50)35-20-31(25-11-12-25)28(22-43-35)24-46-14-2-1-3-15-46/h4-5,7-10,19-22,25,48H,1-3,6,11-18,23-24H2,(H,44,49)(H,45,50)
InChIKeyDTOOOJDZMBGHPI-UHFFFAOYSA-N
MW713.71 g/mol
LogP7.56
Rot. Bonds11

About N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 170265453) has the molecular formula C39H42Cl2N6O3 and a molecular weight of 713.71 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
PubChem CID170265453
Molecular FormulaC39H42Cl2N6O3
Molecular Weight713.71 g/mol
Exact Mass712.27
IUPAC NameN-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(NC(=O)c3cc(C4CC4)c(CN4CCCCC4)cn3)c2Cl)c1Cl)c1cc2c(cn1)CN(CCCO)CC2
InChIInChI=1S/C39H42Cl2N6O3/c40-36-29(7-4-9-32(36)44-38(49)34-19-26-13-17-47(16-6-18-48)23-27(26)21-42-34)30-8-5-10-33(37(30)41)45-39(50)35-20-31(25-11-12-25)28(22-43-35)24-46-14-2-1-3-15-46/h4-5,7-10,19-22,25,48H,1-3,6,11-18,23-24H2,(H,44,49)(H,45,50)
InChIKeyDTOOOJDZMBGHPI-UHFFFAOYSA-N
XLogP7.56
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.71
LogP ≤ 57.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 166901398
N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 170266121
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 170046311
(2S)-1-[[6-[[2-chloro-3-[2-chloro-3-[[7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carbonyl]amino]phenyl]phenyl]carbamoyl]-4-cyclopropyl-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 166901397
(2S)-1-[[6-[[3-[3-[[7-[2-(4-carboxy-1-bicyclo[2.2.1]heptanyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-4-cyclopropyl-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 168855363
(2S)-1-[[6-[[3-[2-chloro-3-[(7-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridine-3-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-4-cyclopropyl-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 168855395
(2R)-2-[[4-cyclopropyl-6-[[3-[3-[[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methylamino]-3-hydroxypropanoic acid
CID 166042066
N-[3-[2-chloro-3-[[5-(dimethoxymethyl)pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-4-methyl-5-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 166735101
4-cyclopropyl-5-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 167074675
4-cyclopropyl-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide
CID 167074806
N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 166901341
N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 177381025

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 170265453) is N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is O=C(Nc1cccc(-c2cccc(NC(=O)c3cc(C4CC4)c(CN4CCCCC4)cn3)c2Cl)c1Cl)c1cc2c(cn1)CN(CCCO)CC2.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The InChIKey is DTOOOJDZMBGHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42Cl2N6O3/c40-36-29(7-4-9-32(36)44-38(49)34-19-26-13-17-47(16-6-18-48)23-27(26)21-42-34)30-8-5-10-33(37(30)41)45-39(50)35-20-31(25-11-12-25)28(22-43-35)24-46-14-2-1-3-15-46/h4-5,7-10,19-22,25,48H,1-3,6,11-18,23-24H2,(H,44,49)(H,45,50).
What are the key properties of N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 713.71 g/mol, XLogP of 7.56, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 170265453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).