2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide

C18H23N5O2 — CID 109312376

IUPAC2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C18H23N5O2/c1-4-5-11-23(3)17(25)16-9-10-19-18(22-16)21-15-8-6-7-14(12-15)20-13(2)24/h6-10,12H,4-5,11H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyPZTKCNQPRXBQMC-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.05
Rot. Bonds7

About 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide

2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide (PubChem CID 109312376) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide
PubChem CID109312376
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1ccnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C18H23N5O2/c1-4-5-11-23(3)17(25)16-9-10-19-18(22-16)21-15-8-6-7-14(12-15)20-13(2)24/h6-10,12H,4-5,11H2,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyPZTKCNQPRXBQMC-UHFFFAOYSA-N
XLogP3.05
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(3-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109312393
N-butyl-2-[4-(diethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109312384
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
6-N-butyl-2-N-(3-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099571
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109310906

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide (CID 109312376) is 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1ccnc(Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide?
The InChIKey is PZTKCNQPRXBQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-5-11-23(3)17(25)16-9-10-19-18(22-16)21-15-8-6-7-14(12-15)20-13(2)24/h6-10,12H,4-5,11H2,1-3H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109312376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).