2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid

C16H19N3O2 — CID 114700707

IUPAC2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCc1cnccc1CNc1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)14-6-13(16(20)21)7-15(19-14)18-9-12-4-5-17-8-11(12)3/h4-8,10H,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyQJYUXBRTTNRVSH-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.22
Rot. Bonds5

About 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid

2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 114700707) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID114700707
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCc1cnccc1CNc1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)14-6-13(16(20)21)7-15(19-14)18-9-12-4-5-17-8-11(12)3/h4-8,10H,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyQJYUXBRTTNRVSH-UHFFFAOYSA-N
XLogP3.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
CID 114701017
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380228
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 114701905
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 114702177
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid (CID 114700707) is 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid is Cc1cnccc1CNc1cc(C(=O)O)cc(C(C)C)n1.
What is the InChIKey of 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is QJYUXBRTTNRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)14-6-13(16(20)21)7-15(19-14)18-9-12-4-5-17-8-11(12)3/h4-8,10H,9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 114700707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).