N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide

C16H22N4O3 — CID 72874748

IUPACN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)cc1=O
InChIInChI=1S/C16H22N4O3/c1-19-5-4-11(6-15(19)22)16(23)18-13-8-20(9-14(17)21)7-12(13)10-2-3-10/h4-6,10,12-13H,2-3,7-9H2,1H3,(H2,17,21)(H,18,23)/t12-,13+/m1/s1
InChIKeyXHUKRBIBZKEHIL-OLZOCXBDSA-N
MW318.38 g/mol
LogP-0.69
Rot. Bonds5

About N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 72874748) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID72874748
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)cc1=O
InChIInChI=1S/C16H22N4O3/c1-19-5-4-11(6-15(19)22)16(23)18-13-8-20(9-14(17)21)7-12(13)10-2-3-10/h4-6,10,12-13H,2-3,7-9H2,1H3,(H2,17,21)(H,18,23)/t12-,13+/m1/s1
InChIKeyXHUKRBIBZKEHIL-OLZOCXBDSA-N
XLogP-0.69
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 72847325
N-{(3R,5S)-1-acetyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide (non-preferred name)
CID 72857517
(2S)-2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
CID 162102030
(2R)-2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
CID 162396253
1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72887547
N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 72937042
2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
CID 162479005
N-((3S*,4R*)-1-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]acetyl}-4-propyl-3-pyrrolidinyl)acetamide
CID 70781427
1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 72911897
1-{2-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-2-oxoethyl}-5-(trifluoromethyl)-2(1H)-pyridinone
CID 133117232
N-(1-cyclopropylpyrrolidin-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 47938238
(2E)-2-[(Z)-2-aminoethenyl]-N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-pyrrolidin-1-ylpenta-2,4-dienamide
CID 89119850

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 72874748) is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)cc1=O.
What is the InChIKey of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is XHUKRBIBZKEHIL-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-5-4-11(6-15(19)22)16(23)18-13-8-20(9-14(17)21)7-12(13)10-2-3-10/h4-6,10,12-13H,2-3,7-9H2,1H3,(H2,17,21)(H,18,23)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 72874748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).