2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

C13H19ClN4O — CID 114923433

IUPAC2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCCN2CCCC2)c(Cl)cn1
InChIInChI=1S/C13H19ClN4O/c14-11-9-17-12(15)8-10(11)13(19)16-4-3-7-18-5-1-2-6-18/h8-9H,1-7H2,(H2,15,17)(H,16,19)
InChIKeyJZUGEOCVPYTLEW-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 114923433) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID114923433
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCCN2CCCC2)c(Cl)cn1
InChIInChI=1S/C13H19ClN4O/c14-11-9-17-12(15)8-10(11)13(19)16-4-3-7-18-5-1-2-6-18/h8-9H,1-7H2,(H2,15,17)(H,16,19)
InChIKeyJZUGEOCVPYTLEW-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
2-amino-5-chloro-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 114921931
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 63102669
4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 78833399

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 114923433) is 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCCCN2CCCC2)c(Cl)cn1.
What is the InChIKey of 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is JZUGEOCVPYTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-11-9-17-12(15)8-10(11)13(19)16-4-3-7-18-5-1-2-6-18/h8-9H,1-7H2,(H2,15,17)(H,16,19).
What are the key properties of 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).