1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H19N3O4 — CID 115433896

IUPAC1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C14H19N3O4/c1-21-11-5-4-10(8-15-11)17-13(20)16-9-14(12(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHWQUWJNIKIAFCF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.86
Rot. Bonds5

About 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433896) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433896
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C14H19N3O4/c1-21-11-5-4-10(8-15-11)17-13(20)16-9-14(12(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHWQUWJNIKIAFCF-UHFFFAOYSA-N
XLogP1.86
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445330
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433896) is 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is COc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cn1.
What is the InChIKey of 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is HWQUWJNIKIAFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-11-5-4-10(8-15-11)17-13(20)16-9-14(12(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).