2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid

C14H19N3O3 — CID 64701210

IUPAC2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2cccnc2)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12(19)9-14(6-2-1-3-7-14)17-13(20)16-11-5-4-8-15-10-11/h4-5,8,10H,1-3,6-7,9H2,(H,18,19)(H2,16,17,20)
InChIKeyNBCQKIYWUODIDX-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.38
Rot. Bonds4

About 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid

2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid (PubChem CID 64701210) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
PubChem CID64701210
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2cccnc2)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12(19)9-14(6-2-1-3-7-14)17-13(20)16-11-5-4-8-15-10-11/h4-5,8,10H,1-3,6-7,9H2,(H,18,19)(H2,16,17,20)
InChIKeyNBCQKIYWUODIDX-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700270
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64701805
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid (CID 64701210) is 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)Nc2cccnc2)CCCCC1.
What is the InChIKey of 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid?
The InChIKey is NBCQKIYWUODIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12(19)9-14(6-2-1-3-7-14)17-13(20)16-11-5-4-8-15-10-11/h4-5,8,10H,1-3,6-7,9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid?
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64701210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).