2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid

C16H22N2O3 — CID 65237888

IUPAC2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid
SMILESCc1cccnc1C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-12-7-6-10-17-14(12)15(21)18(2)16(11-13(19)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyWQIAIGLSEYPQOS-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.64
Rot. Bonds4

About 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 65237888) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID65237888
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid
SMILESCc1cccnc1C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c1-12-7-6-10-17-14(12)15(21)18(2)16(11-13(19)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyWQIAIGLSEYPQOS-UHFFFAOYSA-N
XLogP2.64
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 65243108
2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 65238537
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid
CID 79803321
2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 65238494
2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
2-[1-[methyl-(1-methylimidazole-4-carbonyl)amino]cyclohexyl]acetic acid
CID 107971504
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
2-[1-[methyl-(2-methylpyrimidin-4-yl)amino]cyclohexyl]acetic acid
CID 65242738
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid (CID 65237888) is 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid is Cc1cccnc1C(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is WQIAIGLSEYPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-7-6-10-17-14(12)15(21)18(2)16(11-13(19)20)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65237888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).