2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

C13H17Cl2N3O — CID 114917609

IUPAC2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H17Cl2N3O/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,(H,16,19)
InChIKeyJDEHOUPUWBJWMU-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.60
Rot. Bonds5

About 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 114917609) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID114917609
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H17Cl2N3O/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,(H,16,19)
InChIKeyJDEHOUPUWBJWMU-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 78833399
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 114917609) is 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is O=C(NCCCN1CCCC1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is JDEHOUPUWBJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/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,(H,16,19).
What are the key properties of 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).