3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide

C17H14Cl2N4O — CID 42924153

IUPAC3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
SMILESCn1ccnc1C(NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H14Cl2N4O/c1-23-10-9-20-16(23)14(11-5-3-2-4-6-11)22-17(24)15-12(18)7-8-13(19)21-15/h2-10,14H,1H3,(H,22,24)
InChIKeyMOUGKHQZEUUELF-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.64
Rot. Bonds4

About 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide

3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide (PubChem CID 42924153) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
PubChem CID42924153
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
SMILESCn1ccnc1C(NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H14Cl2N4O/c1-23-10-9-20-16(23)14(11-5-3-2-4-6-11)22-17(24)15-12(18)7-8-13(19)21-15/h2-10,14H,1H3,(H,22,24)
InChIKeyMOUGKHQZEUUELF-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.64
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

3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31356926
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
2-chloro-N-[(1S)-3-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 25475792
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63236046

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide (CID 42924153) is 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide is Cn1ccnc1C(NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide?
The InChIKey is MOUGKHQZEUUELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-23-10-9-20-16(23)14(11-5-3-2-4-6-11)22-17(24)15-12(18)7-8-13(19)21-15/h2-10,14H,1H3,(H,22,24).
What are the key properties of 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 42924153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).