5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid

C13H19N3O4 — CID 82847806

IUPAC5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
SMILESCOc1ccc(NC(=O)NC(C)CCCC(=O)O)cn1
InChIInChI=1S/C13H19N3O4/c1-9(4-3-5-12(17)18)15-13(19)16-10-6-7-11(20-2)14-8-10/h6-9H,3-5H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeySURKEGNRJSQNMO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.86
Rot. Bonds7

About 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid

5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid (PubChem CID 82847806) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
PubChem CID82847806
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
SMILESCOc1ccc(NC(=O)NC(C)CCCC(=O)O)cn1
InChIInChI=1S/C13H19N3O4/c1-9(4-3-5-12(17)18)15-13(19)16-10-6-7-11(20-2)14-8-10/h6-9H,3-5H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeySURKEGNRJSQNMO-UHFFFAOYSA-N
XLogP1.86
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61186550
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921
5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
5-[(3,4-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82854342
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea
CID 143531600
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide
CID 14304482
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid?
The IUPAC name of 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid (CID 82847806) is 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid is COc1ccc(NC(=O)NC(C)CCCC(=O)O)cn1.
What is the InChIKey of 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid?
The InChIKey is SURKEGNRJSQNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(4-3-5-12(17)18)15-13(19)16-10-6-7-11(20-2)14-8-10/h6-9H,3-5H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid?
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 82847806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).