N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide

C34H37N5O4 — CID 177380781

IUPACN-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide
SMILESCNC(=O)C[C@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C34H37N5O4/c1-22-16-32(41)38-29-10-8-24(18-28(22)29)19-33(42)39-14-12-23(13-15-39)17-27(20-31(40)35-2)37-34(43)30-11-9-26(21-36-30)25-6-4-3-5-7-25/h3-11,16,18,21,23,27H,12-15,17,19-20H2,1-2H3,(H,35,40)(H,37,43)(H,38,41)/t27-/m0/s1
InChIKeyKONIAWXAEVQCES-MHZLTWQESA-N
MW579.70 g/mol
LogP4.00
Rot. Bonds9

About N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide

N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide (PubChem CID 177380781) has the molecular formula C34H37N5O4 and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide
PubChem CID177380781
Molecular FormulaC34H37N5O4
Molecular Weight579.70 g/mol
Exact Mass579.28
IUPAC NameN-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide
SMILESCNC(=O)C[C@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C34H37N5O4/c1-22-16-32(41)38-29-10-8-24(18-28(22)29)19-33(42)39-14-12-23(13-15-39)17-27(20-31(40)35-2)37-34(43)30-11-9-26(21-36-30)25-6-4-3-5-7-25/h3-11,16,18,21,23,27H,12-15,17,19-20H2,1-2H3,(H,35,40)(H,37,43)(H,38,41)/t27-/m0/s1
InChIKeyKONIAWXAEVQCES-MHZLTWQESA-N
XLogP4.00
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.70
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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Jnj-31020028
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N,N'-(2,2'-Dimethyl-[1,1'-biphenyl]-3,3'-diyl)bis(5-(((2-hydroxyethyl)amino)methyl)picolinamide)
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N-(2-aminophenyl)-4-{5-[(4-isopropylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
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XR-9577
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide (CID 177380781) is N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide is CNC(=O)C[C@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide?
The InChIKey is KONIAWXAEVQCES-MHZLTWQESA-N. The full InChI is InChI=1S/C34H37N5O4/c1-22-16-32(41)38-29-10-8-24(18-28(22)29)19-33(42)39-14-12-23(13-15-39)17-27(20-31(40)35-2)37-34(43)30-11-9-26(21-36-30)25-6-4-3-5-7-25/h3-11,16,18,21,23,27H,12-15,17,19-20H2,1-2H3,(H,35,40)(H,37,43)(H,38,41)/t27-/m0/s1.
What are the key properties of N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide?
N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide has a molecular weight of 579.70 g/mol, XLogP of 4.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(methylamino)-1-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-4-oxobutan-2-yl]-5-phenylpyridine-2-carboxamide is sourced from PubChem (CID 177380781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).