2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide

C12H12Cl2N4O — CID 114917693

IUPAC2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-8(6-18-3-2-15-7-18)17-12(19)9-4-11(14)16-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,17,19)
InChIKeyUFSLPIHNDHQBCV-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.40
Rot. Bonds4

About 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide

2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114917693) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114917693
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-8(6-18-3-2-15-7-18)17-12(19)9-4-11(14)16-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,17,19)
InChIKeyUFSLPIHNDHQBCV-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917727
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
CID 47187642
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62178273
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159872
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide (CID 114917693) is 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cn1ccnc1)NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is UFSLPIHNDHQBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-8(6-18-3-2-15-7-18)17-12(19)9-4-11(14)16-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,17,19).
What are the key properties of 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114917693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).