N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide

C24H26N4O2 — CID 1272696

IUPACN-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CCC)cc3)nc2)cc1
InChIInChI=1S/C24H26N4O2/c1-3-5-22(29)27-20-11-7-17(8-12-20)19-15-25-24(26-16-19)18-9-13-21(14-10-18)28-23(30)6-4-2/h7-16H,3-6H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUUWOWMPOWPCWAV-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.29
Rot. Bonds8

About N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide

N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide (PubChem CID 1272696) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide
PubChem CID1272696
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CCC)cc3)nc2)cc1
InChIInChI=1S/C24H26N4O2/c1-3-5-22(29)27-20-11-7-17(8-12-20)19-15-25-24(26-16-19)18-9-13-21(14-10-18)28-23(30)6-4-2/h7-16H,3-6H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUUWOWMPOWPCWAV-UHFFFAOYSA-N
XLogP5.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Prt-060318
CID 11493841
C-1368
CID 9549303
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
8-(4-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218659
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide (CID 1272696) is N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CCC)cc3)nc2)cc1.
What is the InChIKey of N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide?
The InChIKey is UUWOWMPOWPCWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-5-22(29)27-20-11-7-17(8-12-20)19-15-25-24(26-16-19)18-9-13-21(14-10-18)28-23(30)6-4-2/h7-16H,3-6H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide?
N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide has a molecular weight of 402.50 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(butanoylamino)phenyl]pyrimidin-5-yl]phenyl]butanamide is sourced from PubChem (CID 1272696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).