1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C15H20N2O3 — CID 79041898

IUPAC1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCc1ncccc1NC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O3/c1-11-12(6-5-9-16-11)17-13(18)10-15(14(19)20)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyDTLJCVOHFRWDLW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 79041898) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID79041898
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCc1ncccc1NC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O3/c1-11-12(6-5-9-16-11)17-13(18)10-15(14(19)20)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyDTLJCVOHFRWDLW-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43579885
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79235812
1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79044431
1-[2-[2-(diethylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 47704266
1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 17422094
1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103584581
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
1-[2-[4-(4-methylpyrimidin-2-yl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91642886
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
1-[2-[(2-chloropyrimidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 116794778
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 79041898) is 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is Cc1ncccc1NC(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is DTLJCVOHFRWDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-12(6-5-9-16-11)17-13(18)10-15(14(19)20)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79041898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).