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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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).