N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide

C35H36ClN7O4 — CID 135146362

IUPACN-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN3CCN(C)C3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cn2)c1Cl
InChIInChI=1S/C35H36ClN7O4/c1-22-26(5-3-7-28(22)39-33(45)30-12-10-24(18-38-30)20-43-16-15-41(2)35(43)47)27-6-4-8-29(32(27)36)40-34(46)31-11-9-23(17-37-31)19-42-14-13-25(44)21-42/h3-12,17-18,25,44H,13-16,19-21H2,1-2H3,(H,39,45)(H,40,46)/t25-/m1/s1
InChIKeyZHFFWCZDCWBVFH-RUZDIDTESA-N
MW654.17 g/mol
LogP5.04
Rot. Bonds9

About N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide

N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 135146362) has the molecular formula C35H36ClN7O4 and a molecular weight of 654.17 g/mol. Its IUPAC name is N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
PubChem CID135146362
Molecular FormulaC35H36ClN7O4
Molecular Weight654.17 g/mol
Exact Mass653.25
IUPAC NameN-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN3CCN(C)C3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cn2)c1Cl
InChIInChI=1S/C35H36ClN7O4/c1-22-26(5-3-7-28(22)39-33(45)30-12-10-24(18-38-30)20-43-16-15-41(2)35(43)47)27-6-4-8-29(32(27)36)40-34(46)31-11-9-23(17-37-31)19-42-14-13-25(44)21-42/h3-12,17-18,25,44H,13-16,19-21H2,1-2H3,(H,39,45)(H,40,46)/t25-/m1/s1
InChIKeyZHFFWCZDCWBVFH-RUZDIDTESA-N
XLogP5.04
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.17
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[6-[[3-[2-chloro-3-[[5-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 135146332
N-(3-bromo-2-chlorophenyl)-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
CID 135156432
N-[3-(2-cyano-3-ethenylphenyl)-2-methylphenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
CID 162496568
(3R)-1-[[8-[[3-[2-chloro-3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]methyl]-1,7-naphthyridin-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 157356815
4-cyclopropyl-5-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 167074675
N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
CID 171489765
2-[[7-[[3-[3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]methoxy]-3,4-dihydro-2H-chromen-4-yl]-methylamino]acetic acid
CID 175464483
N-[3-[2-[(E)-2-[2-chloro-5-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]-3-cyano-4-pyridinyl]-2-methylphenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
CID 166891863
(3R)-1-[[4-[(E)-2-[3-[2-chloro-3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]-2-fluorophenyl]ethenyl]-2-methoxy-5-methylphenyl]methyl]pyrrolidine-3-carboxylic acid
CID 163979519
(2S)-1-[[6-[2-[3-[3-[[5-[[(2S)-2-carboxypiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-chlorophenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 159531216
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-[2-chloro-3-[[5-(dimethoxymethyl)pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 135146329

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide (CID 135146362) is N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(CN3CCN(C)C3=O)cn2)cccc1-c1cccc(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cn2)c1Cl.
What is the InChIKey of N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?
The InChIKey is ZHFFWCZDCWBVFH-RUZDIDTESA-N. The full InChI is InChI=1S/C35H36ClN7O4/c1-22-26(5-3-7-28(22)39-33(45)30-12-10-24(18-38-30)20-43-16-15-41(2)35(43)47)27-6-4-8-29(32(27)36)40-34(46)31-11-9-23(17-37-31)19-42-14-13-25(44)21-42/h3-12,17-18,25,44H,13-16,19-21H2,1-2H3,(H,39,45)(H,40,46)/t25-/m1/s1.
What are the key properties of N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?
N-[2-chloro-3-[2-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 654.17 g/mol, XLogP of 5.04, 9 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-methyl-3-[[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135146362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).