3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide

C15H13ClN6O — CID 122143190

IUPAC3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCc1nnnn1-c1ccccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H13ClN6O/c1-2-14-19-20-21-22(14)13-6-4-3-5-12(13)18-15(23)10-7-8-17-9-11(10)16/h3-9H,2H2,1H3,(H,18,23)
InChIKeyPNKPPIBSXVDTTR-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.53
Rot. Bonds4

About 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide

3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 122143190) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID122143190
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCc1nnnn1-c1ccccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H13ClN6O/c1-2-14-19-20-21-22(14)13-6-4-3-5-12(13)18-15(23)10-7-8-17-9-11(10)16/h3-9H,2H2,1H3,(H,18,23)
InChIKeyPNKPPIBSXVDTTR-UHFFFAOYSA-N
XLogP2.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
N-[2-(5-ethyltetrazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 136526581
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
(2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95772190
3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide
CID 77135119
4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
CID 81228247
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 66482742
3-chloro-N-(2-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 66484881
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 122143190) is 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide is CCc1nnnn1-c1ccccc1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is PNKPPIBSXVDTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O/c1-2-14-19-20-21-22(14)13-6-4-3-5-12(13)18-15(23)10-7-8-17-9-11(10)16/h3-9H,2H2,1H3,(H,18,23).
What are the key properties of 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide?
3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5-ethyltetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 122143190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).