2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide

C16H17N3O — CID 84573642

IUPAC2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1NC1CC1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-19(13-6-3-2-4-7-13)16(20)14-8-5-11-17-15(14)18-12-9-10-12/h2-8,11-12H,9-10H2,1H3,(H,17,18)
InChIKeyOHTLZGXBZWMWQI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.93
Rot. Bonds4

About 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide

2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 84573642) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID84573642
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1NC1CC1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-19(13-6-3-2-4-7-13)16(20)14-8-5-11-17-15(14)18-12-9-10-12/h2-8,11-12H,9-10H2,1H3,(H,17,18)
InChIKeyOHTLZGXBZWMWQI-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide (CID 84573642) is 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide is CN(C(=O)c1cccnc1NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is OHTLZGXBZWMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(13-6-3-2-4-7-13)16(20)14-8-5-11-17-15(14)18-12-9-10-12/h2-8,11-12H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide?
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 84573642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).