4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide

C19H21N3O3 — CID 139295953

IUPAC4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc([C@@H](O)c2ccccc2C)n1
InChIInChI=1S/C19H21N3O3/c1-11-5-3-4-6-14(11)17(23)15-9-12(18(24)21-13-7-8-13)10-16(22-15)19(25)20-2/h3-6,9-10,13,17,23H,7-8H2,1-2H3,(H,20,25)(H,21,24)/t17-/m0/s1
InChIKeyWGMNVLWVUBCSEL-KRWDZBQOSA-N
MW339.40 g/mol
LogP1.72
Rot. Bonds5

About 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide

4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 139295953) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID139295953
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc([C@@H](O)c2ccccc2C)n1
InChIInChI=1S/C19H21N3O3/c1-11-5-3-4-6-14(11)17(23)15-9-12(18(24)21-13-7-8-13)10-16(22-15)19(25)20-2/h3-6,9-10,13,17,23H,7-8H2,1-2H3,(H,20,25)(H,21,24)/t17-/m0/s1
InChIKeyWGMNVLWVUBCSEL-KRWDZBQOSA-N
XLogP1.72
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide (CID 139295953) is 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cc([C@@H](O)c2ccccc2C)n1.
What is the InChIKey of 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is WGMNVLWVUBCSEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-5-3-4-6-14(11)17(23)15-9-12(18(24)21-13-7-8-13)10-16(22-15)19(25)20-2/h3-6,9-10,13,17,23H,7-8H2,1-2H3,(H,20,25)(H,21,24)/t17-/m0/s1.
What are the key properties of 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide?
4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 139295953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).