2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109300297

IUPAC2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-28-16-8-14-23-21(27)20-13-15-24-22(25-20)26(19-11-6-3-7-12-19)17-18-9-4-2-5-10-18/h2-7,9-13,15H,8,14,16-17H2,1H3,(H,23,27)
InChIKeyAMZKOSGDRZUETF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds9

About 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide

2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (PubChem CID 109300297) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
PubChem CID109300297
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-28-16-8-14-23-21(27)20-13-15-24-22(25-20)26(19-11-6-3-7-12-19)17-18-9-4-2-5-10-18/h2-7,9-13,15H,8,14,16-17H2,1H3,(H,23,27)
InChIKeyAMZKOSGDRZUETF-UHFFFAOYSA-N
XLogP3.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205803
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295026
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153077
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (CID 109300297) is 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is COCCCNC(=O)c1ccnc(N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is AMZKOSGDRZUETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-16-8-14-23-21(27)20-13-15-24-22(25-20)26(19-11-6-3-7-12-19)17-18-9-4-2-5-10-18/h2-7,9-13,15H,8,14,16-17H2,1H3,(H,23,27).
What are the key properties of 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).