1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H19N3O3 — CID 16783827

IUPAC1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccccn1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12(19)14(7-3-1-4-8-14)17-13(20)16-10-11-6-2-5-9-15-11/h2,5-6,9H,1,3-4,7-8,10H2,(H,18,19)(H2,16,17,20)
InChIKeyOJLDXZHAIZCFSW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.67
Rot. Bonds4

About 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 16783827) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID16783827
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccccn1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12(19)14(7-3-1-4-8-14)17-13(20)16-10-11-6-2-5-9-15-11/h2,5-6,9H,1,3-4,7-8,10H2,(H,18,19)(H2,16,17,20)
InChIKeyOJLDXZHAIZCFSW-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63823970
1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 54962816
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 2738302
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 16783827) is 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCc1ccccn1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OJLDXZHAIZCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12(19)14(7-3-1-4-8-14)17-13(20)16-10-11-6-2-5-9-15-11/h2,5-6,9H,1,3-4,7-8,10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16783827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).