6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid

C15H17N3O2 — CID 81244047

IUPAC6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2cccc(C)n2)c(C(=O)O)cn1
InChIInChI=1S/C15H17N3O2/c1-10-5-4-6-12(17-10)9-18(3)14-7-11(2)16-8-13(14)15(19)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyMGCBSAGWYMJODX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.43
Rot. Bonds4

About 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid

6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 81244047) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID81244047
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)Cc2cccc(C)n2)c(C(=O)O)cn1
InChIInChI=1S/C15H17N3O2/c1-10-5-4-6-12(17-10)9-18(3)14-7-11(2)16-8-13(14)15(19)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyMGCBSAGWYMJODX-UHFFFAOYSA-N
XLogP2.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216
6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81229074
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 81243730
1-methyl-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrazole-4-carboxylic acid
CID 116632248
2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid
CID 136547951
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1-phenylethanone
CID 14590944
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid (CID 81244047) is 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid is Cc1cc(N(C)Cc2cccc(C)n2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is MGCBSAGWYMJODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-5-4-6-12(17-10)9-18(3)14-7-11(2)16-8-13(14)15(19)20/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid?
6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).