2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide

C17H20N4O3 — CID 109251797

IUPAC2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C17H20N4O3/c1-12(22)13-5-3-6-15(9-13)21-17-19-10-14(11-20-17)16(23)18-7-4-8-24-2/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyLEMYLEGORPINCR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.19
Rot. Bonds8

About 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide

2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide (PubChem CID 109251797) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
PubChem CID109251797
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C17H20N4O3/c1-12(22)13-5-3-6-15(9-13)21-17-19-10-14(11-20-17)16(23)18-7-4-8-24-2/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyLEMYLEGORPINCR-UHFFFAOYSA-N
XLogP2.19
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147
methyl 3-[[5-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109153389
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251823
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109252806
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109251815
N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826582
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(3-acetylanilino)-N-(1,3-benzodioxol-5-ylmethyl)pyrimidine-5-carboxamide
CID 109258234
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide (CID 109251797) is 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(Nc2cccc(C(C)=O)c2)nc1.
What is the InChIKey of 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The InChIKey is LEMYLEGORPINCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(22)13-5-3-6-15(9-13)21-17-19-10-14(11-20-17)16(23)18-7-4-8-24-2/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).