6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide

C16H15N3O2 — CID 117087014

IUPAC6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C16H15N3O2/c17-15(20)11-6-4-10(5-7-11)13-2-1-3-14(19-13)16(21)18-12-8-9-12/h1-7,12H,8-9H2,(H2,17,20)(H,18,21)
InChIKeyTXAJNKCXPJTAGB-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.74
Rot. Bonds4

About 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide

6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide (PubChem CID 117087014) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
PubChem CID117087014
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)NC3CC3)n2)cc1
InChIInChI=1S/C16H15N3O2/c17-15(20)11-6-4-10(5-7-11)13-2-1-3-14(19-13)16(21)18-12-8-9-12/h1-7,12H,8-9H2,(H2,17,20)(H,18,21)
InChIKeyTXAJNKCXPJTAGB-UHFFFAOYSA-N
XLogP1.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide (CID 117087014) is 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide is NC(=O)c1ccc(-c2cccc(C(=O)NC3CC3)n2)cc1.
What is the InChIKey of 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is TXAJNKCXPJTAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-15(20)11-6-4-10(5-7-11)13-2-1-3-14(19-13)16(21)18-12-8-9-12/h1-7,12H,8-9H2,(H2,17,20)(H,18,21).
What are the key properties of 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide?
6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 117087014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).