6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid

C16H18N2O2 — CID 104592286

IUPAC6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC(C)c2ccccc2)n1
InChIInChI=1S/C16H18N2O2/c1-11(13-6-4-3-5-7-13)10-17-15-14(16(19)20)9-8-12(2)18-15/h3-9,11H,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPALGEEZEKGGDAH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.30
Rot. Bonds5

About 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid

6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid (PubChem CID 104592286) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid
PubChem CID104592286
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC(C)c2ccccc2)n1
InChIInChI=1S/C16H18N2O2/c1-11(13-6-4-3-5-7-13)10-17-15-14(16(19)20)9-8-12(2)18-15/h3-9,11H,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPALGEEZEKGGDAH-UHFFFAOYSA-N
XLogP3.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid
CID 102700954
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
2-(1-hydroxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63264614
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
4-bromo-2-(2-phenylpropylamino)benzoic acid
CID 114907492
2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63839654
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
CID 25109943
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131
6-methyl-2-(pent-3-ynylamino)pyridine-3-carboxylic acid
CID 116645397
6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
CID 115303139
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid (CID 104592286) is 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCC(C)c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is PALGEEZEKGGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(13-6-4-3-5-7-13)10-17-15-14(16(19)20)9-8-12(2)18-15/h3-9,11H,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid?
6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 104592286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).