N-pyrimidin-2-yltetradecanamide

C18H31N3O — CID 4052382

IUPACN-pyrimidin-2-yltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(22)21-18-19-15-13-16-20-18/h13,15-16H,2-12,14H2,1H3,(H,19,20,21,22)
InChIKeyRMOLFKZLUIDLNS-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.12
Rot. Bonds13

About N-pyrimidin-2-yltetradecanamide

N-pyrimidin-2-yltetradecanamide (PubChem CID 4052382) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-pyrimidin-2-yltetradecanamide.

Molecular Properties

Compound NameN-pyrimidin-2-yltetradecanamide
PubChem CID4052382
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-pyrimidin-2-yltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(22)21-18-19-15-13-16-20-18/h13,15-16H,2-12,14H2,1H3,(H,19,20,21,22)
InChIKeyRMOLFKZLUIDLNS-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.12
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-ylnonanamide
CID 4089811
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-yltetradecanamide?
The IUPAC name of N-pyrimidin-2-yltetradecanamide (CID 4052382) is N-pyrimidin-2-yltetradecanamide.
What is the SMILES notation for N-pyrimidin-2-yltetradecanamide?
The canonical SMILES for N-pyrimidin-2-yltetradecanamide is CCCCCCCCCCCCCC(=O)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-yltetradecanamide?
The InChIKey is RMOLFKZLUIDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(22)21-18-19-15-13-16-20-18/h13,15-16H,2-12,14H2,1H3,(H,19,20,21,22).
What are the key properties of N-pyrimidin-2-yltetradecanamide?
N-pyrimidin-2-yltetradecanamide has a molecular weight of 305.47 g/mol, XLogP of 5.12, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yltetradecanamide is sourced from PubChem (CID 4052382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).