6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid

C13H17N3O4 — CID 43447375

IUPAC6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCN(C(=O)NC(=O)CCCCC(=O)O)c1ccccn1
InChIInChI=1S/C13H17N3O4/c1-16(10-6-4-5-9-14-10)13(20)15-11(17)7-2-3-8-12(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyHXOBYUUWZCWMBO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.40
Rot. Bonds6

About 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid

6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid (PubChem CID 43447375) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid
PubChem CID43447375
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCN(C(=O)NC(=O)CCCCC(=O)O)c1ccccn1
InChIInChI=1S/C13H17N3O4/c1-16(10-6-4-5-9-14-10)13(20)15-11(17)7-2-3-8-12(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)(H,15,17,20)
InChIKeyHXOBYUUWZCWMBO-UHFFFAOYSA-N
XLogP1.40
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-5-[[methyl(pyridin-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62935113
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
N-[methyl(pyridin-2-yl)carbamoyl]-N-phenylformamide
CID 54071035
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
2-ethenylpyridine;hexanoic acid
CID 175076287
5-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61420483
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
5-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61412281
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
CID 60852882
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid (CID 43447375) is 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid is CN(C(=O)NC(=O)CCCCC(=O)O)c1ccccn1.
What is the InChIKey of 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
The InChIKey is HXOBYUUWZCWMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(10-6-4-5-9-14-10)13(20)15-11(17)7-2-3-8-12(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)(H,15,17,20).
What are the key properties of 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid?
6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid has a molecular weight of 279.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 43447375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).