N-pyrimidin-2-ylnonanamide

C13H21N3O — CID 4089811

IUPACN-pyrimidin-2-ylnonanamide
SMILESCCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C13H21N3O/c1-2-3-4-5-6-7-9-12(17)16-13-14-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3,(H,14,15,16,17)
InChIKeyFIPKQTFTZPVKQF-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.17
Rot. Bonds8

About N-pyrimidin-2-ylnonanamide

N-pyrimidin-2-ylnonanamide (PubChem CID 4089811) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-pyrimidin-2-ylnonanamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylnonanamide
PubChem CID4089811
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-pyrimidin-2-ylnonanamide
SMILESCCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C13H21N3O/c1-2-3-4-5-6-7-9-12(17)16-13-14-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3,(H,14,15,16,17)
InChIKeyFIPKQTFTZPVKQF-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyrimidin-2-yltetradecanamide
CID 4052382
N-pyrimidin-2-ylundecanamide
CID 4180610
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-quinolin-8-ylundecanamide
CID 3567928
N-pyrimidin-4-yltetradecanamide
CID 54258014
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-phenylheptatetracontanamide
CID 150503307
methyl 4-oxo-4-(pyrimidin-2-ylamino)butanoate
CID 110756659

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylnonanamide?
The IUPAC name of N-pyrimidin-2-ylnonanamide (CID 4089811) is N-pyrimidin-2-ylnonanamide.
What is the SMILES notation for N-pyrimidin-2-ylnonanamide?
The canonical SMILES for N-pyrimidin-2-ylnonanamide is CCCCCCCCC(=O)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-ylnonanamide?
The InChIKey is FIPKQTFTZPVKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-4-5-6-7-9-12(17)16-13-14-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3,(H,14,15,16,17).
What are the key properties of N-pyrimidin-2-ylnonanamide?
N-pyrimidin-2-ylnonanamide has a molecular weight of 235.33 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylnonanamide is sourced from PubChem (CID 4089811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).