2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid

C14H19N3O4 — CID 107340431

IUPAC2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C14H19N3O4/c18-12-5-3-9(4-6-12)16-14(21)17-11-2-1-10(15-8-11)7-13(19)20/h1-2,8-9,12,18H,3-7H2,(H,19,20)(H2,16,17,21)
InChIKeyMGZWWBBZIVLNGU-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.13
Rot. Bonds4

About 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid

2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 107340431) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
PubChem CID107340431
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C14H19N3O4/c18-12-5-3-9(4-6-12)16-14(21)17-11-2-1-10(15-8-11)7-13(19)20/h1-2,8-9,12,18H,3-7H2,(H,19,20)(H2,16,17,21)
InChIKeyMGZWWBBZIVLNGU-UHFFFAOYSA-N
XLogP1.13
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340758
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid (CID 107340431) is 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NC2CCC(O)CC2)cn1.
What is the InChIKey of 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is MGZWWBBZIVLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12-5-3-9(4-6-12)16-14(21)17-11-2-1-10(15-8-11)7-13(19)20/h1-2,8-9,12,18H,3-7H2,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).