N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide

C21H22N6O2 — CID 121272179

IUPACN-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1
InChIInChI=1S/C21H22N6O2/c22-10-16-6-5-15(9-17(16)24-13-20(28)27-7-1-2-8-27)18-11-25-19(12-23-18)26-21(29)14-3-4-14/h5-6,9,11-12,14,24H,1-4,7-8,13H2,(H,25,26,29)
InChIKeyHDCMTUGSNIUYLM-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.40
Rot. Bonds6

About N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272179) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272179
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1
InChIInChI=1S/C21H22N6O2/c22-10-16-6-5-15(9-17(16)24-13-20(28)27-7-1-2-8-27)18-11-25-19(12-23-18)26-21(29)14-3-4-14/h5-6,9,11-12,14,24H,1-4,7-8,13H2,(H,25,26,29)
InChIKeyHDCMTUGSNIUYLM-UHFFFAOYSA-N
XLogP2.40
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Cyanophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 716676
4-{5-[(2-Oxo-1-pyridin-3-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9799609
4-{5-[(2-Oxo-1-pyridin-4-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9842436
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-pyrido[2,3-e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10340882
4-{5-[(2-Oxo-1-pyridin-2-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 11824866
1-(6-Amino-pyridin-3-yl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 44356620
4-[[5-[[(2-Oxo-1-pyridin-4-ylpyrrolidin-3-yl)amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 56656614
4-[[5-[[(2-Oxo-1-pyridin-3-ylpyrrolidin-3-yl)amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 56683539
N-[1-(4-cyclopropylphenyl)propyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 89880131
(2S)-N-[(2S)-1-[(2S)-2-(anilinomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73443116
2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile
CID 164890224
(2S)-2-(6-butyl-2-(4-(4-cyanophenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)-N-(3-ethoxypropyl)-4-methylpentanamide
CID 44410837

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272179) is N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide is N#Cc1ccc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCCC1.
What is the InChIKey of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is HDCMTUGSNIUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-10-16-6-5-15(9-17(16)24-13-20(28)27-7-1-2-8-27)18-11-25-19(12-23-18)26-21(29)14-3-4-14/h5-6,9,11-12,14,24H,1-4,7-8,13H2,(H,25,26,29).
What are the key properties of N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).