3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide

C11H11ClN4O — CID 66483968

IUPAC3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccncc1Cl
InChIInChI=1S/C11H11ClN4O/c12-10-6-13-3-2-9(10)11(17)15-4-1-8-5-14-7-16-8/h2-3,5-7H,1,4H2,(H,14,16)(H,15,17)
InChIKeyVXTMWOJVGPEUER-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.43
Rot. Bonds4

About 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide

3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 66483968) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID66483968
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccncc1Cl
InChIInChI=1S/C11H11ClN4O/c12-10-6-13-3-2-9(10)11(17)15-4-1-8-5-14-7-16-8/h2-3,5-7H,1,4H2,(H,14,16)(H,15,17)
InChIKeyVXTMWOJVGPEUER-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66472455
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
2-[(3-chloropyridine-4-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 66462995
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide
CID 107487044
4-chloro-2-ethynyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 87493952
8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639778
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide (CID 66483968) is 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1cnc[nH]1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is VXTMWOJVGPEUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-10-6-13-3-2-9(10)11(17)15-4-1-8-5-14-7-16-8/h2-3,5-7H,1,4H2,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide?
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66483968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).