4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C16H20N6O — CID 74243943

IUPAC4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)CC1
InChIInChI=1S/C16H20N6O/c1-11-6-8-22(9-7-11)16(23)17-14-10-13(5-4-12(14)2)15-18-20-21(3)19-15/h4-6,10H,7-9H2,1-3H3,(H,17,23)
InChIKeySMOHUNFZHQBRKV-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.37
Rot. Bonds2

About 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 74243943) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID74243943
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)CC1
InChIInChI=1S/C16H20N6O/c1-11-6-8-22(9-7-11)16(23)17-14-10-13(5-4-12(14)2)15-18-20-21(3)19-15/h4-6,10H,7-9H2,1-3H3,(H,17,23)
InChIKeySMOHUNFZHQBRKV-UHFFFAOYSA-N
XLogP2.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 118792437
(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide
CID 126444127
formic acid;4-methyl-N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 171686617
1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 74234278
2-[[2-methyl-5-(2-methyltetrazol-5-yl)anilino]methylidene]propanedinitrile
CID 168542259
N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72858954
N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 119071489
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]benzoic acid
CID 114411862
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72839739
4-methoxy-N-[3-(2-methyltetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118764405
4-methyl-N-[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 158525036
4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72858123

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 74243943) is 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)CC1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is SMOHUNFZHQBRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-6-8-22(9-7-11)16(23)17-14-10-13(5-4-12(14)2)15-18-20-21(3)19-15/h4-6,10H,7-9H2,1-3H3,(H,17,23).
What are the key properties of 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 74243943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).