1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide

C19H29N5O3 — CID 10090880

IUPAC1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(C(=O)N2CCC(C(N)=O)C2)CC1
InChIInChI=1S/C19H29N5O3/c20-10-16-2-1-8-24(16)17(25)11-22-15-5-3-13(4-6-15)19(27)23-9-7-14(12-23)18(21)26/h13-16,22H,1-9,11-12H2,(H2,21,26)/t13?,14?,15?,16-/m0/s1
InChIKeyBFZFJYSOGYRKJO-AUSYRVNMSA-N
MW375.47 g/mol
LogP-0.02
Rot. Bonds5

About 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide

1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide (PubChem CID 10090880) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide
PubChem CID10090880
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(C(=O)N2CCC(C(N)=O)C2)CC1
InChIInChI=1S/C19H29N5O3/c20-10-16-2-1-8-24(16)17(25)11-22-15-5-3-13(4-6-15)19(27)23-9-7-14(12-23)18(21)26/h13-16,22H,1-9,11-12H2,(H2,21,26)/t13?,14?,15?,16-/m0/s1
InChIKeyBFZFJYSOGYRKJO-AUSYRVNMSA-N
XLogP-0.02
TPSA119.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide
CID 10362981
(2S)-1-[2-[[4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 69157346
2-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]-methylamino]acetic acid
CID 20754679
(2S)-1-[2-(spiro[3.5]nonan-7-ylamino)acetyl]pyrrolidine-2-carbonitrile
CID 69315297
(2S)-1-[2-[[4-[4-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 69157915
4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 70020534
(2S)-1-[2-[[2-(pyrrolidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 68777223
1-(1-propanoylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 131937805
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
CID 138723008
methyl (3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 24999330
(3aS,6aR)-5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 68627003
(3aS,6aR)-5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride
CID 68627002

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide (CID 10090880) is 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide is N#C[C@@H]1CCCN1C(=O)CNC1CCC(C(=O)N2CCC(C(N)=O)C2)CC1.
What is the InChIKey of 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide?
The InChIKey is BFZFJYSOGYRKJO-AUSYRVNMSA-N. The full InChI is InChI=1S/C19H29N5O3/c20-10-16-2-1-8-24(16)17(25)11-22-15-5-3-13(4-6-15)19(27)23-9-7-14(12-23)18(21)26/h13-16,22H,1-9,11-12H2,(H2,21,26)/t13?,14?,15?,16-/m0/s1.
What are the key properties of 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide?
1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 10090880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).