N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide

C24H24ClFN6O — CID 146371105

IUPACN-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)ccc1Cl
InChIInChI=1S/C24H24ClFN6O/c1-14-9-16(3-5-19(14)25)12-29-23(33)21-11-17(13-30-24-27-7-8-28-24)10-20(32-21)18-4-6-22(26)31-15(18)2/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,29,33)(H2,27,28,30)
InChIKeyYNGZZOYPOOUENT-UHFFFAOYSA-N
MW466.95 g/mol
LogP3.53
Rot. Bonds6

About N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide

N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 146371105) has the molecular formula C24H24ClFN6O and a molecular weight of 466.95 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID146371105
Molecular FormulaC24H24ClFN6O
Molecular Weight466.95 g/mol
Exact Mass466.17
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)ccc1Cl
InChIInChI=1S/C24H24ClFN6O/c1-14-9-16(3-5-19(14)25)12-29-23(33)21-11-17(13-30-24-27-7-8-28-24)10-20(32-21)18-4-6-22(26)31-15(18)2/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,29,33)(H2,27,28,30)
InChIKeyYNGZZOYPOOUENT-UHFFFAOYSA-N
XLogP3.53
TPSA91.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 146371105) is N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide is Cc1cc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3ccc(F)nc3C)n2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is YNGZZOYPOOUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O/c1-14-9-16(3-5-19(14)25)12-29-23(33)21-11-17(13-30-24-27-7-8-28-24)10-20(32-21)18-4-6-22(26)31-15(18)2/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,29,33)(H2,27,28,30).
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide?
N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 146371105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).