7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid

C14H21N3O3 — CID 61190060

IUPAC7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NCc1ccccn1
InChIInChI=1S/C14H21N3O3/c18-13(19)8-3-1-2-5-10-16-14(20)17-11-12-7-4-6-9-15-12/h4,6-7,9H,1-3,5,8,10-11H2,(H,18,19)(H2,16,17,20)
InChIKeyOZECFLDVGIFXLW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.92
Rot. Bonds9

About 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid

7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid (PubChem CID 61190060) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
PubChem CID61190060
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NCc1ccccn1
InChIInChI=1S/C14H21N3O3/c18-13(19)8-3-1-2-5-10-16-14(20)17-11-12-7-4-6-9-15-12/h4,6-7,9H,1-3,5,8,10-11H2,(H,18,19)(H2,16,17,20)
InChIKeyOZECFLDVGIFXLW-UHFFFAOYSA-N
XLogP1.92
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
7-(1,2-oxazol-5-ylmethylcarbamoylamino)heptanoic acid
CID 114186663
7-(1H-imidazol-2-ylmethylcarbamoylamino)heptanoic acid
CID 64524727
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321

Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
The IUPAC name of 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid (CID 61190060) is 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid.
What is the SMILES notation for 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
The canonical SMILES for 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)NCc1ccccn1.
What is the InChIKey of 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
The InChIKey is OZECFLDVGIFXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13(19)8-3-1-2-5-10-16-14(20)17-11-12-7-4-6-9-15-12/h4,6-7,9H,1-3,5,8,10-11H2,(H,18,19)(H2,16,17,20).
What are the key properties of 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid is sourced from PubChem (CID 61190060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).