2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide

C18H21N3O2 — CID 126475447

IUPAC2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccccc2OC)nc1NCC1CC1
InChIInChI=1S/C18H21N3O2/c1-19-18(22)14-9-10-15(13-5-3-4-6-16(13)23-2)21-17(14)20-11-12-7-8-12/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKDVFZZBARGAHQU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.94
Rot. Bonds6

About 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide

2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 126475447) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
PubChem CID126475447
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccccc2OC)nc1NCC1CC1
InChIInChI=1S/C18H21N3O2/c1-19-18(22)14-9-10-15(13-5-3-4-6-16(13)23-2)21-17(14)20-11-12-7-8-12/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKDVFZZBARGAHQU-UHFFFAOYSA-N
XLogP2.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide (CID 126475447) is 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccccc2OC)nc1NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is KDVFZZBARGAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-19-18(22)14-9-10-15(13-5-3-4-6-16(13)23-2)21-17(14)20-11-12-7-8-12/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 126475447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).