2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide

C17H21N3O2 — CID 51725711

IUPAC2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC[C@@H](C)N(C)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-13(20(2)14-8-5-4-6-9-14)12-19-16(21)15-10-7-11-18-17(15)22-3/h4-11,13H,12H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyHDFKWXVFBDOBPX-CYBMUJFWSA-N
MW299.37 g/mol
LogP2.34
Rot. Bonds6

About 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide

2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide (PubChem CID 51725711) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
PubChem CID51725711
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC[C@@H](C)N(C)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-13(20(2)14-8-5-4-6-9-14)12-19-16(21)15-10-7-11-18-17(15)22-3/h4-11,13H,12H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyHDFKWXVFBDOBPX-CYBMUJFWSA-N
XLogP2.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
2-methoxy-N-[(2S)-2-sulfamoylpropyl]pyridine-3-carboxamide
CID 97253087
(3S)-4-[(2-methoxypyridine-3-carbonyl)amino]-3-phenylbutanoate
CID 6999499
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 75446980
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
CID 111451178
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 95286023
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-[(2R)-2-(N-methylanilino)propyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide
CID 124737028

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide (CID 51725711) is 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NC[C@@H](C)N(C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide?
The InChIKey is HDFKWXVFBDOBPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(20(2)14-8-5-4-6-9-14)12-19-16(21)15-10-7-11-18-17(15)22-3/h4-11,13H,12H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide?
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 51725711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).