6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide

C17H21N5O2 — CID 109353458

IUPAC6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)15-10-16(19-11-18-15)21-14-8-6-7-13(9-14)20-12(3)23/h6-11H,4-5H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyOLLLOCNJCVCFEO-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.66
Rot. Bonds6

About 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide

6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide (PubChem CID 109353458) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
PubChem CID109353458
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)15-10-16(19-11-18-15)21-14-8-6-7-13(9-14)20-12(3)23/h6-11H,4-5H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyOLLLOCNJCVCFEO-UHFFFAOYSA-N
XLogP2.66
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353413
6-(3-chloro-4-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353435
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348464
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide (CID 109353458) is 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ncn1.
What is the InChIKey of 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide?
The InChIKey is OLLLOCNJCVCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)15-10-16(19-11-18-15)21-14-8-6-7-13(9-14)20-12(3)23/h6-11H,4-5H2,1-3H3,(H,20,23)(H,18,19,21).
What are the key properties of 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide?
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109353458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).