N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide

C11H11ClN4O — CID 115627274

IUPACN-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H11ClN4O/c12-9-1-3-14-10(7-9)15-11(17)2-5-16-6-4-13-8-16/h1,3-4,6-8H,2,5H2,(H,14,15,17)
InChIKeyPSHWLLMVSWQWSK-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.96
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide

N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide (PubChem CID 115627274) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
PubChem CID115627274
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1cc(Cl)ccn1
InChIInChI=1S/C11H11ClN4O/c12-9-1-3-14-10(7-9)15-11(17)2-5-16-6-4-13-8-16/h1,3-4,6-8H,2,5H2,(H,14,15,17)
InChIKeyPSHWLLMVSWQWSK-UHFFFAOYSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloropyrazin-2-yl)-3-imidazol-1-ylpropanamide
CID 102989504
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
CID 65098547
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide
CID 16788832
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide
CID 112688400
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
CID 63643768

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide (CID 115627274) is N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide?
The InChIKey is PSHWLLMVSWQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-1-3-14-10(7-9)15-11(17)2-5-16-6-4-13-8-16/h1,3-4,6-8H,2,5H2,(H,14,15,17).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide?
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide has a molecular weight of 250.69 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 115627274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).