7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid

C13H19N3O3 — CID 64588541

IUPAC7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
SMILESNC(=O)c1cccc(NCCCCCCC(=O)O)n1
InChIInChI=1S/C13H19N3O3/c14-13(19)10-6-5-7-11(16-10)15-9-4-2-1-3-8-12(17)18/h5-7H,1-4,8-9H2,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyKXBHQXFBPVOROH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds9

About 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid

7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid (PubChem CID 64588541) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
PubChem CID64588541
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
SMILESNC(=O)c1cccc(NCCCCCCC(=O)O)n1
InChIInChI=1S/C13H19N3O3/c14-13(19)10-6-5-7-11(16-10)15-9-4-2-1-3-8-12(17)18/h5-7H,1-4,8-9H2,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyKXBHQXFBPVOROH-UHFFFAOYSA-N
XLogP1.63
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
CID 64587795
4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 64589746
5-[[6-(methylamino)-2-pyridinyl]amino]pentanamide
CID 106241556
5-[(6-fluoro-2-pyridinyl)amino]pentanamide
CID 106239975
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
1-[6-(pentylamino)-2-pyridinyl]ethanone
CID 68551808
6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
CID 114987459
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide
CID 107489464
6-[[2-(aminomethyl)phenyl]methylamino]pyridine-2-carboxamide
CID 64590181

Frequently Asked Questions

What is the IUPAC name of 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid?
The IUPAC name of 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid (CID 64588541) is 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid?
The canonical SMILES for 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid is NC(=O)c1cccc(NCCCCCCC(=O)O)n1.
What is the InChIKey of 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid?
The InChIKey is KXBHQXFBPVOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-13(19)10-6-5-7-11(16-10)15-9-4-2-1-3-8-12(17)18/h5-7H,1-4,8-9H2,(H2,14,19)(H,15,16)(H,17,18).
What are the key properties of 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid?
7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid is sourced from PubChem (CID 64588541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).