2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide

C9H9ClN6O — CID 953792

IUPAC2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCCn1nnc(NC(=O)c2cccnc2Cl)n1
InChIInChI=1S/C9H9ClN6O/c1-2-16-14-9(13-15-16)12-8(17)6-4-3-5-11-7(6)10/h3-5H,2H2,1H3,(H,12,14,17)
InChIKeyZRUAKNXGWBDFFI-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.99
Rot. Bonds3

About 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide

2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide (PubChem CID 953792) has the molecular formula C9H9ClN6O and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide
PubChem CID953792
Molecular FormulaC9H9ClN6O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCCn1nnc(NC(=O)c2cccnc2Cl)n1
InChIInChI=1S/C9H9ClN6O/c1-2-16-14-9(13-15-16)12-8(17)6-4-3-5-11-7(6)10/h3-5H,2H2,1H3,(H,12,14,17)
InChIKeyZRUAKNXGWBDFFI-UHFFFAOYSA-N
XLogP0.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4173511
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2085604
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 746692
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]nicotinamide
CID 1221234
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-(2-ethyl-2H-tetrazol-5-yl)nicotinamide
CID 666994
3-(4-chlorophenyl)-1-(3-pyridinylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 971718
6-chloro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2565589
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4615339
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 807237
6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2089892
4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 7693917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide (CID 953792) is 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide is CCn1nnc(NC(=O)c2cccnc2Cl)n1.
What is the InChIKey of 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is ZRUAKNXGWBDFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O/c1-2-16-14-9(13-15-16)12-8(17)6-4-3-5-11-7(6)10/h3-5H,2H2,1H3,(H,12,14,17).
What are the key properties of 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide?
2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyltetrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 953792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).