1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

C14H19N3O3 — CID 115436667

IUPAC1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)Nc1cccnc1
InChIInChI=1S/C14H19N3O3/c18-12(19)14(6-2-1-3-7-14)10-16-13(20)17-11-5-4-8-15-9-11/h4-5,8-9H,1-3,6-7,10H2,(H,18,19)(H2,16,17,20)
InChIKeyXHEVIXYEISAFCM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.24
Rot. Bonds4

About 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436667) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID115436667
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)Nc1cccnc1
InChIInChI=1S/C14H19N3O3/c18-12(19)14(6-2-1-3-7-14)10-16-13(20)17-11-5-4-8-15-9-11/h4-5,8-9H,1-3,6-7,10H2,(H,18,19)(H2,16,17,20)
InChIKeyXHEVIXYEISAFCM-UHFFFAOYSA-N
XLogP2.24
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-[[(2-aminophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436780

Frequently Asked Questions

What is the IUPAC name of 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 115436667) is 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCC1)Nc1cccnc1.
What is the InChIKey of 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XHEVIXYEISAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12(19)14(6-2-1-3-7-14)10-16-13(20)17-11-5-4-8-15-9-11/h4-5,8-9H,1-3,6-7,10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).