1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid

C14H19N3O3 — CID 64587554

IUPAC1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(Nc2cccc(C(N)=O)n2)(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-4-3-7-14(8-9,13(19)20)17-11-6-2-5-10(16-11)12(15)18/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyIFBMHVRWGZSGPL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.63
Rot. Bonds4

About 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 64587554) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID64587554
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(Nc2cccc(C(N)=O)n2)(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-4-3-7-14(8-9,13(19)20)17-11-6-2-5-10(16-11)12(15)18/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyIFBMHVRWGZSGPL-UHFFFAOYSA-N
XLogP1.63
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 64587554) is 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(Nc2cccc(C(N)=O)n2)(C(=O)O)C1.
What is the InChIKey of 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is IFBMHVRWGZSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-3-7-14(8-9,13(19)20)17-11-6-2-5-10(16-11)12(15)18/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64587554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).