2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide

C20H19N5O2 — CID 109303858

IUPAC2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)23-16-7-9-17(10-8-16)24-20-21-12-11-18(25-20)19(27)22-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,27)(H,23,26)(H,21,24,25)
InChIKeyRWTRRVLJWIPZEJ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide

2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide (PubChem CID 109303858) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
PubChem CID109303858
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)23-16-7-9-17(10-8-16)24-20-21-12-11-18(25-20)19(27)22-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,27)(H,23,26)(H,21,24,25)
InChIKeyRWTRRVLJWIPZEJ-UHFFFAOYSA-N
XLogP3.11
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
ethyl 4-[[4-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303879
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
2-(4-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307662

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide (CID 109303858) is 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2nccc(C(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide?
The InChIKey is RWTRRVLJWIPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)23-16-7-9-17(10-8-16)24-20-21-12-11-18(25-20)19(27)22-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,27)(H,23,26)(H,21,24,25).
What are the key properties of 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide is sourced from PubChem (CID 109303858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).