1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C15H21N3O3 — CID 115441131

IUPAC1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNc2ccc(C(N)=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-10-4-6-15(7-5-10,14(20)21)9-18-12-3-2-11(8-17-12)13(16)19/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyKKWDZUQBCJAZMU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds5

About 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115441131) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115441131
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNc2ccc(C(N)=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-10-4-6-15(7-5-10,14(20)21)9-18-12-3-2-11(8-17-12)13(16)19/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyKKWDZUQBCJAZMU-UHFFFAOYSA-N
XLogP1.87
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61289753
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441153
1-[[(4-cyanopyridazin-3-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441158
1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441154
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridine-3-carboxamide
CID 115366055
6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide
CID 114759134
6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
CID 114106328
6-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-3-carboxamide
CID 113252356
1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 61289571
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
1-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 136972256

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115441131) is 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNc2ccc(C(N)=O)cn2)(C(=O)O)CC1.
What is the InChIKey of 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is KKWDZUQBCJAZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-6-15(7-5-10,14(20)21)9-18-12-3-2-11(8-17-12)13(16)19/h2-3,8,10H,4-7,9H2,1H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115441131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).