N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide

C16H14N6O — CID 30701945

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccccn1
InChIInChI=1S/C16H14N6O/c23-16(14-3-1-2-10-17-14)18-12-6-4-11(5-7-12)15-19-20-21-22(15)13-8-9-13/h1-7,10,13H,8-9H2,(H,18,23)
InChIKeyOVWWJRWTFTUFDE-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.32
Rot. Bonds4

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 30701945) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID30701945
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccccn1
InChIInChI=1S/C16H14N6O/c23-16(14-3-1-2-10-17-14)18-12-6-4-11(5-7-12)15-19-20-21-22(15)13-8-9-13/h1-7,10,13H,8-9H2,(H,18,23)
InChIKeyOVWWJRWTFTUFDE-UHFFFAOYSA-N
XLogP2.32
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide (CID 30701945) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccccn1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is OVWWJRWTFTUFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c23-16(14-3-1-2-10-17-14)18-12-6-4-11(5-7-12)15-19-20-21-22(15)13-8-9-13/h1-7,10,13H,8-9H2,(H,18,23).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 30701945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).