N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide

C19H18ClN3O2 — CID 143273458

IUPACN-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide
SMILESCOC1=C(c2ccc(NC(=O)c3ccncc3C)cc2)CC(Cl)C=N1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-21-8-7-16(12)18(24)23-15-5-3-13(4-6-15)17-9-14(20)11-22-19(17)25-2/h3-8,10-11,14H,9H2,1-2H3,(H,23,24)
InChIKeyHYGSQNKMCKPGNJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.04
Rot. Bonds4

About N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide

N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide (PubChem CID 143273458) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide
PubChem CID143273458
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide
SMILESCOC1=C(c2ccc(NC(=O)c3ccncc3C)cc2)CC(Cl)C=N1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-21-8-7-16(12)18(24)23-15-5-3-13(4-6-15)17-9-14(20)11-22-19(17)25-2/h3-8,10-11,14H,9H2,1-2H3,(H,23,24)
InChIKeyHYGSQNKMCKPGNJ-UHFFFAOYSA-N
XLogP4.04
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
CID 143518217
3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 146926080
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11559715
N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid
CID 160525731
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
3-[4-(dimethylamino)-3-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]phenoxy]propanoic acid
CID 11750484
N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143638
3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 66484003
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide (CID 143273458) is N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide is COC1=C(c2ccc(NC(=O)c3ccncc3C)cc2)CC(Cl)C=N1.
What is the InChIKey of N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide?
The InChIKey is HYGSQNKMCKPGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-10-21-8-7-16(12)18(24)23-15-5-3-13(4-6-15)17-9-14(20)11-22-19(17)25-2/h3-8,10-11,14H,9H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide?
N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 143273458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).