2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide

C13H18ClN3O — CID 61217354

IUPAC2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-10(9-17-6-2-3-7-17)16-13(18)11-4-5-15-12(14)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyZWRMBKCIXHGBSX-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.95
Rot. Bonds4

About 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide

2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 61217354) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID61217354
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-10(9-17-6-2-3-7-17)16-13(18)11-4-5-15-12(14)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyZWRMBKCIXHGBSX-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 62176247
CID 178032891
CID 178032891
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 114035318
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
2-chloro-N-[(2R)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-yl]pyridine-4-carboxamide
CID 95204797
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
6-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 55041432
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide (CID 61217354) is 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide is CC(CN1CCCC1)NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is ZWRMBKCIXHGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(9-17-6-2-3-7-17)16-13(18)11-4-5-15-12(14)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 61217354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).