N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide

C23H27N7O — CID 69280959

IUPACN-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide
SMILESCCn1nnc(N2CCC(C)=C(c3ccc(NC(=O)c4cc(C)ncc4C)cc3)C2)n1
InChIInChI=1S/C23H27N7O/c1-5-30-27-23(26-28-30)29-11-10-15(2)21(14-29)18-6-8-19(9-7-18)25-22(31)20-12-17(4)24-13-16(20)3/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,25,31)
InChIKeyQSGQXORCLGOTCL-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.64
Rot. Bonds5

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

N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide (PubChem CID 69280959) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide
PubChem CID69280959
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide
SMILESCCn1nnc(N2CCC(C)=C(c3ccc(NC(=O)c4cc(C)ncc4C)cc3)C2)n1
InChIInChI=1S/C23H27N7O/c1-5-30-27-23(26-28-30)29-11-10-15(2)21(14-29)18-6-8-19(9-7-18)25-22(31)20-12-17(4)24-13-16(20)3/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,25,31)
InChIKeyQSGQXORCLGOTCL-UHFFFAOYSA-N
XLogP3.64
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 69281065
2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 70451249
2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 45109849
N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide
CID 157313637
N-[4-(1-cyano-4-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide;3-fluoro-N-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
CID 158239633
2-chloro-N-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;bis(2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2-methylphenyl)ethanone)
CID 158852163
N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504096
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504102
2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 59785762
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 20959576
N-[4-[1-[(E)-N'-[amino(methyl)amino]carbamimidoyl]-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2-chlorobenzamide
CID 143969247
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326121

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide (CID 69280959) is N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide is CCn1nnc(N2CCC(C)=C(c3ccc(NC(=O)c4cc(C)ncc4C)cc3)C2)n1.
What is the InChIKey of N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide?
The InChIKey is QSGQXORCLGOTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-5-30-27-23(26-28-30)29-11-10-15(2)21(14-29)18-6-8-19(9-7-18)25-22(31)20-12-17(4)24-13-16(20)3/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,25,31).
What are the key properties of N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide?
N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 69280959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).