N-pyrimidin-4-yltetradecanamide

C18H31N3O — CID 54258014

IUPACN-pyrimidin-4-yltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccncn1
InChIInChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-14-15-19-16-20-17/h14-16H,2-13H2,1H3,(H,19,20,21,22)
InChIKeyGMBLAZFTZJLJCO-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.12
Rot. Bonds13

About N-pyrimidin-4-yltetradecanamide

N-pyrimidin-4-yltetradecanamide (PubChem CID 54258014) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-pyrimidin-4-yltetradecanamide.

Molecular Properties

Compound NameN-pyrimidin-4-yltetradecanamide
PubChem CID54258014
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-pyrimidin-4-yltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccncn1
InChIInChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-14-15-19-16-20-17/h14-16H,2-13H2,1H3,(H,19,20,21,22)
InChIKeyGMBLAZFTZJLJCO-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-4-ylbutanamide
CID 130272746
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
N-pyrimidin-2-ylnonanamide
CID 4089811
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yltetradecanamide?
The IUPAC name of N-pyrimidin-4-yltetradecanamide (CID 54258014) is N-pyrimidin-4-yltetradecanamide.
What is the SMILES notation for N-pyrimidin-4-yltetradecanamide?
The canonical SMILES for N-pyrimidin-4-yltetradecanamide is CCCCCCCCCCCCCC(=O)Nc1ccncn1.
What is the InChIKey of N-pyrimidin-4-yltetradecanamide?
The InChIKey is GMBLAZFTZJLJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-14-15-19-16-20-17/h14-16H,2-13H2,1H3,(H,19,20,21,22).
What are the key properties of N-pyrimidin-4-yltetradecanamide?
N-pyrimidin-4-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-4-yltetradecanamide is sourced from PubChem (CID 54258014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).