N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide

C18H19N3O3 — CID 138491581

IUPACN-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NCc2c(C)cc(C#N)cc2C)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-11-5-13(8-19)6-12(2)15(11)10-21-18(22)17-16(24-4)7-14(23-3)9-20-17/h5-7,9H,10H2,1-4H3,(H,21,22)
InChIKeyMYVWODSEQYKDFU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide

N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide (PubChem CID 138491581) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide
PubChem CID138491581
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NCc2c(C)cc(C#N)cc2C)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-11-5-13(8-19)6-12(2)15(11)10-21-18(22)17-16(24-4)7-14(23-3)9-20-17/h5-7,9H,10H2,1-4H3,(H,21,22)
InChIKeyMYVWODSEQYKDFU-UHFFFAOYSA-N
XLogP2.52
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyano-2,6-dimethylphenyl)methyl]-5-fluoro-3-hydroxypyridine-2-carboxamide
CID 138491575
1-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]formamide
CID 115172240
N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxypyridine-2-carboxamide
CID 155074800
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
ethyl 3-cyano-5-methoxypyridine-2-carboxylate
CID 133097457
4-(chloromethyl)-3-methoxy-5-methylbenzonitrile
CID 171021005
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
methyl 5-cyano-2-(hydroxymethyl)-3-methylbenzoate
CID 131589844
2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 56675716
2-[(5-cyano-2-pyridinyl)amino]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 138996405

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide?
The IUPAC name of N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide (CID 138491581) is N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide is COc1cnc(C(=O)NCc2c(C)cc(C#N)cc2C)c(OC)c1.
What is the InChIKey of N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide?
The InChIKey is MYVWODSEQYKDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-5-13(8-19)6-12(2)15(11)10-21-18(22)17-16(24-4)7-14(23-3)9-20-17/h5-7,9H,10H2,1-4H3,(H,21,22).
What are the key properties of N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide?
N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2,6-dimethylphenyl)methyl]-3,5-dimethoxypyridine-2-carboxamide is sourced from PubChem (CID 138491581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).