3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide

C11H14ClN7O — CID 62174427

IUPAC3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCc2nn[nH]n2)n1
InChIInChI=1S/C11H14ClN7O/c1-2-5-13-8-4-3-7(12)10(15-8)11(20)14-6-9-16-18-19-17-9/h3-4H,2,5-6H2,1H3,(H,13,15)(H,14,20)(H,16,17,18,19)
InChIKeyGRAGJDPVTAVURF-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.00
Rot. Bonds6

About 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide

3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 62174427) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID62174427
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NCc2nn[nH]n2)n1
InChIInChI=1S/C11H14ClN7O/c1-2-5-13-8-4-3-7(12)10(15-8)11(20)14-6-9-16-18-19-17-9/h3-4H,2,5-6H2,1H3,(H,13,15)(H,14,20)(H,16,17,18,19)
InChIKeyGRAGJDPVTAVURF-UHFFFAOYSA-N
XLogP1.00
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide (CID 62174427) is 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)NCc2nn[nH]n2)n1.
What is the InChIKey of 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is GRAGJDPVTAVURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-2-5-13-8-4-3-7(12)10(15-8)11(20)14-6-9-16-18-19-17-9/h3-4H,2,5-6H2,1H3,(H,13,15)(H,14,20)(H,16,17,18,19).
What are the key properties of 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide?
3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(propylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62174427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).