N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C17H19N3O2 — CID 2964244

IUPACN-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-14-8-6-13(7-9-14)19-17(21)15-5-4-10-18-16(15)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyDROCFMVVMWRWPH-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.94
Rot. Bonds4

About N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 2964244) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID2964244
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-14-8-6-13(7-9-14)19-17(21)15-5-4-10-18-16(15)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyDROCFMVVMWRWPH-UHFFFAOYSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 2964244) is N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is DROCFMVVMWRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-14-8-6-13(7-9-14)19-17(21)15-5-4-10-18-16(15)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 2964244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).