N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide

C22H21N7O — CID 133316335

IUPACN-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-n2nnnc2NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C22H21N7O/c1-16-3-7-20(8-4-16)29-22(25-26-27-29)24-15-17-5-9-19(10-6-17)28(2)21(30)18-11-13-23-14-12-18/h3-14H,15H2,1-2H3,(H,24,25,27)
InChIKeyLGLWHHHWAORTHY-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.25
Rot. Bonds6

About N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide

N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133316335) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID133316335
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-n2nnnc2NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C22H21N7O/c1-16-3-7-20(8-4-16)29-22(25-26-27-29)24-15-17-5-9-19(10-6-17)28(2)21(30)18-11-13-23-14-12-18/h3-14H,15H2,1-2H3,(H,24,25,27)
InChIKeyLGLWHHHWAORTHY-UHFFFAOYSA-N
XLogP3.25
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305352
N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
CID 60521247
N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133316364
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-methyl-N-[4-[(2-methyl-6-nitroanilino)methyl]phenyl]pyridine-4-carboxamide
CID 133316314
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133274465
N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316321

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 133316335) is N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide is Cc1ccc(-n2nnnc2NCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1.
What is the InChIKey of N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is LGLWHHHWAORTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-16-3-7-20(8-4-16)29-22(25-26-27-29)24-15-17-5-9-19(10-6-17)28(2)21(30)18-11-13-23-14-12-18/h3-14H,15H2,1-2H3,(H,24,25,27).
What are the key properties of N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133316335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).