N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide

C12H19N3O — CID 19041085

IUPACN-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)C1C=CC=CN1
InChIInChI=1S/C12H19N3O/c16-12(11-5-1-2-6-13-11)14-7-10-15-8-3-4-9-15/h1-2,5-6,11,13H,3-4,7-10H2,(H,14,16)
InChIKeyJJKAGGDSHSWOGU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.24
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide

N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide (PubChem CID 19041085) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide
PubChem CID19041085
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)C1C=CC=CN1
InChIInChI=1S/C12H19N3O/c16-12(11-5-1-2-6-13-11)14-7-10-15-8-3-4-9-15/h1-2,5-6,11,13H,3-4,7-10H2,(H,14,16)
InChIKeyJJKAGGDSHSWOGU-UHFFFAOYSA-N
XLogP0.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide (CID 19041085) is N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide is O=C(NCCN1CCCC1)C1C=CC=CN1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide?
The InChIKey is JJKAGGDSHSWOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(11-5-1-2-6-13-11)14-7-10-15-8-3-4-9-15/h1-2,5-6,11,13H,3-4,7-10H2,(H,14,16).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide?
N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 19041085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).