6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide

C23H24N4O2 — CID 112852608

IUPAC6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-4-15(2)24-23(29)20-14-21(25-19-12-8-11-18(13-19)16(3)28)27-22(26-20)17-9-6-5-7-10-17/h5-15H,4H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyMWULQGOUYLPVPW-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.62
Rot. Bonds7

About 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide

6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852608) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
PubChem CID112852608
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O2/c1-4-15(2)24-23(29)20-14-21(25-19-12-8-11-18(13-19)16(3)28)27-22(26-20)17-9-6-5-7-10-17/h5-15H,4H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyMWULQGOUYLPVPW-UHFFFAOYSA-N
XLogP4.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852605
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
CID 109111674
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
1-[3-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112868357
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
1-[3-[[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112881688
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880078

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide (CID 112852608) is 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is MWULQGOUYLPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-15(2)24-23(29)20-14-21(25-19-12-8-11-18(13-19)16(3)28)27-22(26-20)17-9-6-5-7-10-17/h5-15H,4H2,1-3H3,(H,24,29)(H,25,26,27).
What are the key properties of 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide?
6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).