N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide

C16H17N7O — CID 60521247

IUPACN-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nnnc2NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H17N7O/c1-12-4-6-14(7-5-12)23-16(20-21-22-23)19-10-9-18-15(24)13-3-2-8-17-11-13/h2-8,11H,9-10H2,1H3,(H,18,24)(H,19,20,22)
InChIKeyTYQADVJCXKPZOQ-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.21
Rot. Bonds6

About N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 60521247) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
PubChem CID60521247
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nnnc2NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H17N7O/c1-12-4-6-14(7-5-12)23-16(20-21-22-23)19-10-9-18-15(24)13-3-2-8-17-11-13/h2-8,11H,9-10H2,1H3,(H,18,24)(H,19,20,22)
InChIKeyTYQADVJCXKPZOQ-UHFFFAOYSA-N
XLogP1.21
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide
CID 86887275
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765954
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[[N-ethyl-N'-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111622238

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide (CID 60521247) is N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide is Cc1ccc(-n2nnnc2NCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is TYQADVJCXKPZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-12-4-6-14(7-5-12)23-16(20-21-22-23)19-10-9-18-15(24)13-3-2-8-17-11-13/h2-8,11H,9-10H2,1H3,(H,18,24)(H,19,20,22).
What are the key properties of N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 60521247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).