5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide

C14H11ClN6O — CID 126816197

IUPAC5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1nn[nH]n1)c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN6O/c15-10-6-7-11(16-8-10)14(22)17-12(13-18-20-21-19-13)9-4-2-1-3-5-9/h1-8,12H,(H,17,22)(H,18,19,20,21)
InChIKeyWTDNLUNCSPINLX-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.77
Rot. Bonds4

About 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide

5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 126816197) has the molecular formula C14H11ClN6O and a molecular weight of 314.74 g/mol. Its IUPAC name is 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID126816197
Molecular FormulaC14H11ClN6O
Molecular Weight314.74 g/mol
Exact Mass314.07
IUPAC Name5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1nn[nH]n1)c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN6O/c15-10-6-7-11(16-8-10)14(22)17-12(13-18-20-21-19-13)9-4-2-1-3-5-9/h1-8,12H,(H,17,22)(H,18,19,20,21)
InChIKeyWTDNLUNCSPINLX-UHFFFAOYSA-N
XLogP1.77
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
CID 113274731
N-[phenyl(2H-tetrazol-5-yl)methyl]aniline
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3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-[phenyl(2H-tetrazol-5-yl)methyl]acetamide
CID 154801311
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide
CID 154836827
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide
CID 155949277
5-chloro-N-phenacylpyridine-2-carboxamide
CID 64991922
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
3-(2,4-dichlorophenyl)-N-[(R)-(3,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]propanamide
CID 100687166
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
CID 130288420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide (CID 126816197) is 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide is O=C(NC(c1ccccc1)c1nn[nH]n1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is WTDNLUNCSPINLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O/c15-10-6-7-11(16-8-10)14(22)17-12(13-18-20-21-19-13)9-4-2-1-3-5-9/h1-8,12H,(H,17,22)(H,18,19,20,21).
What are the key properties of 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide?
5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 314.74 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 126816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).