N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide

C22H30N6O3 — CID 176586622

IUPACN-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide
SMILESCCc1nc2c(=O)n(C(CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)ccc2[nH]1
InChIInChI=1S/C22H30N6O3/c1-4-18-26-16-7-9-28(22(31)19(16)27-18)17(10-13(2)3)21(30)25-15(12-23)11-14-6-5-8-24-20(14)29/h7,9,13-15,17H,4-6,8,10-11H2,1-3H3,(H,24,29)(H,25,30)(H,26,27)/t14-,15-,17?/m0/s1
InChIKeySJERSVPTYGFORJ-GIIGEWEBSA-N
MW426.52 g/mol
LogP1.80
Rot. Bonds8

About N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide

N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide (PubChem CID 176586622) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide
PubChem CID176586622
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC NameN-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide
SMILESCCc1nc2c(=O)n(C(CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)ccc2[nH]1
InChIInChI=1S/C22H30N6O3/c1-4-18-26-16-7-9-28(22(31)19(16)27-18)17(10-13(2)3)21(30)25-15(12-23)11-14-6-5-8-24-20(14)29/h7,9,13-15,17H,4-6,8,10-11H2,1-3H3,(H,24,29)(H,25,30)(H,26,27)/t14-,15-,17?/m0/s1
InChIKeySJERSVPTYGFORJ-GIIGEWEBSA-N
XLogP1.80
TPSA132.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide with MolForge

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Related Compounds

N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-4-methyl-2-(2-methyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)pentanamide
CID 176586619
(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(cyclohexylsulfonylamino)-4-methylpentanamide
CID 164544272
N-[(2S)-1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-5-phenyl-1H-imidazole-2-carboxamide
CID 167141632
[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 175458558
pyridin-2-ylmethyl N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 167213521
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
CID 164544191
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-[[hydroxy(3H-imidazo[4,5-c]pyridin-2-yl)methyl]amino]-4-methylpentanamide
CID 170021615
1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]indole-2-carboxamide
CID 162479368
tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
CID 162478760
N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane
CID 164544295
4,7-dichloro-N-[1-[[1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
CID 166745026
6-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 163283339

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide?
The IUPAC name of N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide (CID 176586622) is N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide.
What is the SMILES notation for N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide?
The canonical SMILES for N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide is CCc1nc2c(=O)n(C(CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)ccc2[nH]1.
What is the InChIKey of N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide?
The InChIKey is SJERSVPTYGFORJ-GIIGEWEBSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-4-18-26-16-7-9-28(22(31)19(16)27-18)17(10-13(2)3)21(30)25-15(12-23)11-14-6-5-8-24-20(14)29/h7,9,13-15,17H,4-6,8,10-11H2,1-3H3,(H,24,29)(H,25,30)(H,26,27)/t14-,15-,17?/m0/s1.
What are the key properties of N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide?
N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide has a molecular weight of 426.52 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-(2-ethyl-4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)-4-methylpentanamide is sourced from PubChem (CID 176586622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).