(2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide

C31H38N8O4 — CID 101387010

IUPAC(2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN1C1(N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)Nc2ccccn2)C=CC=C1)C(=O)Nc1ccccn1
InChIInChI=1S/C31H38N8O4/c1-21(27(40)36-25-13-3-7-17-32-25)34-29(42)23-11-9-19-38(23)31(15-5-6-16-31)39-20-10-12-24(39)30(43)35-22(2)28(41)37-26-14-4-8-18-33-26/h3-8,13-18,21-24H,9-12,19-20H2,1-2H3,(H,34,42)(H,35,43)(H,32,36,40)(H,33,37,41)/t21-,22-,23+,24+/m0/s1
InChIKeyJCFNKBWRMYZKEI-CJRSTVEYSA-N
MW586.70 g/mol
LogP1.81
Rot. Bonds10

About (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide

(2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide (PubChem CID 101387010) has the molecular formula C31H38N8O4 and a molecular weight of 586.70 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide
PubChem CID101387010
Molecular FormulaC31H38N8O4
Molecular Weight586.70 g/mol
Exact Mass586.30
IUPAC Name(2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCN1C1(N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)Nc2ccccn2)C=CC=C1)C(=O)Nc1ccccn1
InChIInChI=1S/C31H38N8O4/c1-21(27(40)36-25-13-3-7-17-32-25)34-29(42)23-11-9-19-38(23)31(15-5-6-16-31)39-20-10-12-24(39)30(43)35-22(2)28(41)37-26-14-4-8-18-33-26/h3-8,13-18,21-24H,9-12,19-20H2,1-2H3,(H,34,42)(H,35,43)(H,32,36,40)(H,33,37,41)/t21-,22-,23+,24+/m0/s1
InChIKeyJCFNKBWRMYZKEI-CJRSTVEYSA-N
XLogP1.81
TPSA148.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.70
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341
(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 70302822
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
(2S)-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-N-pyridin-2-ylpropanamide
CID 124755099
2-(4-morpholin-4-ylpiperidin-1-yl)-N-pyridin-2-ylpropanamide
CID 91830061
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 97263112
[(2S)-3-[2-[2-[[1-[(4R)-2,4-dimethylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidin-1-yl]-3-oxo-2-[[2-(pyridin-2-ylcarbamoylamino)acetyl]amino]propyl] formate
CID 167146731
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide (CID 101387010) is (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@H]1CCCN1C1(N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)Nc2ccccn2)C=CC=C1)C(=O)Nc1ccccn1.
What is the InChIKey of (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is JCFNKBWRMYZKEI-CJRSTVEYSA-N. The full InChI is InChI=1S/C31H38N8O4/c1-21(27(40)36-25-13-3-7-17-32-25)34-29(42)23-11-9-19-38(23)31(15-5-6-16-31)39-20-10-12-24(39)30(43)35-22(2)28(41)37-26-14-4-8-18-33-26/h3-8,13-18,21-24H,9-12,19-20H2,1-2H3,(H,34,42)(H,35,43)(H,32,36,40)(H,33,37,41)/t21-,22-,23+,24+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide?
(2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 586.70 g/mol, XLogP of 1.81, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-1-[1-[(2R)-2-[[(2S)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]carbamoyl]pyrrolidin-1-yl]cyclopenta-2,4-dien-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 101387010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).