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

C40H44Cl2N6O3 — CID 166901398

IUPACN-[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
SMILESC[C@@H]1CCCCN1Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc5c(cn4)CN(CCCO)CC5)c3Cl)c2Cl)cc1C1CC1
InChIInChI=1S/C40H44Cl2N6O3/c1-25-7-2-3-16-48(25)24-29-22-44-36(20-32(29)26-12-13-26)40(51)46-34-11-5-9-31(38(34)42)30-8-4-10-33(37(30)41)45-39(50)35-19-27-14-17-47(15-6-18-49)23-28(27)21-43-35/h4-5,8-11,19-22,25-26,49H,2-3,6-7,12-18,23-24H2,1H3,(H,45,50)(H,46,51)/t25-/m1/s1
InChIKeyQAUCWQFYNHHMIV-RUZDIDTESA-N
MW727.74 g/mol
LogP7.95
Rot. Bonds11

About 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

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 (PubChem CID 166901398) has the molecular formula C40H44Cl2N6O3 and a molecular weight of 727.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID166901398
Molecular FormulaC40H44Cl2N6O3
Molecular Weight727.74 g/mol
Exact Mass726.29
IUPAC NameN-[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
SMILESC[C@@H]1CCCCN1Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc5c(cn4)CN(CCCO)CC5)c3Cl)c2Cl)cc1C1CC1
InChIInChI=1S/C40H44Cl2N6O3/c1-25-7-2-3-16-48(25)24-29-22-44-36(20-32(29)26-12-13-26)40(51)46-34-11-5-9-31(38(34)42)30-8-4-10-33(37(30)41)45-39(50)35-19-27-14-17-47(15-6-18-49)23-28(27)21-43-35/h4-5,8-11,19-22,25-26,49H,2-3,6-7,12-18,23-24H2,1H3,(H,45,50)(H,46,51)/t25-/m1/s1
InChIKeyQAUCWQFYNHHMIV-RUZDIDTESA-N
XLogP7.95
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.74
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-[2-chloro-3-[2-methyl-3-[[5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 135163541
(2S)-1-[[6-[[3-[3-[[5-[[(2-carboxy-1-hydroxypropan-2-yl)amino]methyl]-4-cyclopropylpyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-4-cyclopropyl-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 167074787
(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
(2S)-1-[[4-cyclopropyl-6-[[3-[3-[[4-cyclopropyl-5-[[[(2R)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 166042067
4-cyclopropyl-5-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 167074675

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CCCCN1Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc5c(cn4)CN(CCCO)CC5)c3Cl)c2Cl)cc1C1CC1.
What is the InChIKey of 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?
The InChIKey is QAUCWQFYNHHMIV-RUZDIDTESA-N. The full InChI is InChI=1S/C40H44Cl2N6O3/c1-25-7-2-3-16-48(25)24-29-22-44-36(20-32(29)26-12-13-26)40(51)46-34-11-5-9-31(38(34)42)30-8-4-10-33(37(30)41)45-39(50)35-19-27-14-17-47(15-6-18-49)23-28(27)21-43-35/h4-5,8-11,19-22,25-26,49H,2-3,6-7,12-18,23-24H2,1H3,(H,45,50)(H,46,51)/t25-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 727.74 g/mol, XLogP of 7.95, 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-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 166901398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).