2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide

C11H13ClN6O — CID 99814772

IUPAC2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)c1ccnc(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C11H13ClN6O/c1-2-3-8(10-15-17-18-16-10)14-11(19)7-4-5-13-9(12)6-7/h4-6,8H,2-3H2,1H3,(H,14,19)(H,15,16,17,18)/t8-/m0/s1
InChIKeyPPYGAHLOPGNDBB-QMMMGPOBSA-N
MW280.72 g/mol
LogP1.52
Rot. Bonds5

About 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide

2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide (PubChem CID 99814772) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
PubChem CID99814772
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)c1ccnc(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C11H13ClN6O/c1-2-3-8(10-15-17-18-16-10)14-11(19)7-4-5-13-9(12)6-7/h4-6,8H,2-3H2,1H3,(H,14,19)(H,15,16,17,18)/t8-/m0/s1
InChIKeyPPYGAHLOPGNDBB-QMMMGPOBSA-N
XLogP1.52
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-N-isopropylisonicotinamide
CID 12026212
5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
CID 71920433
5-chloro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]pyridine-2-carboxamide
CID 71914615
3-chloro-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 124504806
3-chloro-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyridine-4-carboxamide
CID 125440862
3-chloro-N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427324
5-chloro-N-[3-(2H-tetrazol-5-yl)pentan-3-yl]pyridine-2-carboxamide
CID 127265047
2-chloro-N-propylpyridine-4-carboxamide
CID 15115851
2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide
CID 43401639
3-Tetrazolyl-6-methyl-5-(4-pyridyl)-2-pyridone
CID 136746051
2-chloro-N-{[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl}pyridine-4-carboxamide
CID 56801937
2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 61856625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide (CID 99814772) is 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide is CCC[C@H](NC(=O)c1ccnc(Cl)c1)c1nn[nH]n1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
The InChIKey is PPYGAHLOPGNDBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-2-3-8(10-15-17-18-16-10)14-11(19)7-4-5-13-9(12)6-7/h4-6,8H,2-3H2,1H3,(H,14,19)(H,15,16,17,18)/t8-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide?
2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 99814772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).