1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 115436939

IUPAC1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCCCC1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c1-18(12-6-5-9-16-10-12)14(21)17-11-15(13(19)20)7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyRVNNWSRVHXMCQG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.26
Rot. Bonds4

About 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436939) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436939
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCCCC1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c1-18(12-6-5-9-16-10-12)14(21)17-11-15(13(19)20)7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyRVNNWSRVHXMCQG-UHFFFAOYSA-N
XLogP2.26
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440277
1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 107736885
1-[[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446462
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436956
1-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43563437
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026

Frequently Asked Questions

What is the IUPAC name of 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 115436939) is 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is CN(C(=O)NCC1(C(=O)O)CCCCC1)c1cccnc1.
What is the InChIKey of 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RVNNWSRVHXMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(12-6-5-9-16-10-12)14(21)17-11-15(13(19)20)7-3-2-4-8-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).