N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C21H31N3O2 — CID 133120733

IUPACN-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@@H]2CN(C3CCCCCC3)C[C@H]2C2CC2)c[nH]1
InChIInChI=1S/C21H31N3O2/c1-14-10-20(25)17(11-22-14)21(26)23-19-13-24(12-18(19)15-8-9-15)16-6-4-2-3-5-7-16/h10-11,15-16,18-19H,2-9,12-13H2,1H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1
InChIKeyZGUQUDKGTBPYRT-RBUKOAKNSA-N
MW357.50 g/mol
LogP2.85
Rot. Bonds4

About N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 133120733) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID133120733
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@@H]2CN(C3CCCCCC3)C[C@H]2C2CC2)c[nH]1
InChIInChI=1S/C21H31N3O2/c1-14-10-20(25)17(11-22-14)21(26)23-19-13-24(12-18(19)15-8-9-15)16-6-4-2-3-5-7-16/h10-11,15-16,18-19H,2-9,12-13H2,1H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1
InChIKeyZGUQUDKGTBPYRT-RBUKOAKNSA-N
XLogP2.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R*,4S*)-1-acetyl-4-cyclopropyl-3-pyrrolidinyl]-1-methyl-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 72872778
N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 42372234
N-cyclopropyl-2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 45178377
2-(cyclopentylmethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 56854343
2-(cyclopentylmethyl)-1,6-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxopyridine-3-carboxamide
CID 126465269
5-[4-[(3S)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 28070674
5-[4-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 28070678
2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-6-methyl-4-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-dihydro-3-pyridinecarboxamide
CID 42499368
2-(cyclopentylmethyl)-N-[2-(diethylamino)ethyl]-1,6-dimethyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide
CID 42540554
5-({4-[1-(2,2-Dimethylpropyl)-3-pyrrolidinyl]-1-piperidinyl}carbonyl)-2-methyl-4-pyridinol
CID 45168966
5-{[4-(Cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-2-methyl-4-pyridinol
CID 56864068
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 56898551

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 133120733) is N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@@H]2CN(C3CCCCCC3)C[C@H]2C2CC2)c[nH]1.
What is the InChIKey of N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZGUQUDKGTBPYRT-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-10-20(25)17(11-22-14)21(26)23-19-13-24(12-18(19)15-8-9-15)16-6-4-2-3-5-7-16/h10-11,15-16,18-19H,2-9,12-13H2,1H3,(H,22,25)(H,23,26)/t18-,19+/m0/s1.
What are the key properties of N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 133120733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).