5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide

C12H16N6O — CID 71920433

IUPAC5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cncc(C)c1)c1nn[nH]n1
InChIInChI=1S/C12H16N6O/c1-3-4-10(11-15-17-18-16-11)14-12(19)9-5-8(2)6-13-7-9/h5-7,10H,3-4H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyNISLIVVXIPDGOF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.17
Rot. Bonds5

About 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide

5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide (PubChem CID 71920433) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
PubChem CID71920433
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1cncc(C)c1)c1nn[nH]n1
InChIInChI=1S/C12H16N6O/c1-3-4-10(11-15-17-18-16-11)14-12(19)9-5-8(2)6-13-7-9/h5-7,10H,3-4H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyNISLIVVXIPDGOF-UHFFFAOYSA-N
XLogP1.17
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 102562004
2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 99814772
N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
1-methyl-3-propan-2-yl-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]pyrazole-5-carboxamide
CID 97098017
4-methoxy-2-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
CID 71853665
5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide
CID 97098020
N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
CID 97184162
2-(2-methoxyethylamino)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 119813161
5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
CID 90941953
N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
CID 113274774
N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
CID 97247823
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide (CID 71920433) is 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide is CCCC(NC(=O)c1cncc(C)c1)c1nn[nH]n1.
What is the InChIKey of 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide?
The InChIKey is NISLIVVXIPDGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-4-10(11-15-17-18-16-11)14-12(19)9-5-8(2)6-13-7-9/h5-7,10H,3-4H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide?
5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide is sourced from PubChem (CID 71920433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).