methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate

C14H20N2O3 — CID 170275874

IUPACmethyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(C)CC(C)C)cn1
InChIInChI=1S/C14H20N2O3/c1-9(2)7-10(3)13(17)16-11-5-6-12(15-8-11)14(18)19-4/h5-6,8-10H,7H2,1-4H3,(H,16,17)
InChIKeyRJYBKKBSOJRBJH-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.49
Rot. Bonds5

About methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate

methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate (PubChem CID 170275874) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate
PubChem CID170275874
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)C(C)CC(C)C)cn1
InChIInChI=1S/C14H20N2O3/c1-9(2)7-10(3)13(17)16-11-5-6-12(15-8-11)14(18)19-4/h5-6,8-10H,7H2,1-4H3,(H,16,17)
InChIKeyRJYBKKBSOJRBJH-UHFFFAOYSA-N
XLogP2.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(6-methoxycarbonyl-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 169288588
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate
CID 15079356
methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate
CID 66802732
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate
CID 59991877
methyl 4-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate
CID 15540458
methyl 5-[(2-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylate
CID 54156394
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate (CID 170275874) is methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)C(C)CC(C)C)cn1.
What is the InChIKey of methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate?
The InChIKey is RJYBKKBSOJRBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)7-10(3)13(17)16-11-5-6-12(15-8-11)14(18)19-4/h5-6,8-10H,7H2,1-4H3,(H,16,17).
What are the key properties of methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate?
methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate is sourced from PubChem (CID 170275874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).