1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one

C17H17N5O3 — CID 67252249

IUPAC1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccc(N3CCOCC3)c2)c2cccnc2n1O
InChIInChI=1S/C17H17N5O3/c23-17-20-15(14-5-2-6-18-16(14)22(17)24)19-12-3-1-4-13(11-12)21-7-9-25-10-8-21/h1-6,11,24H,7-10H2,(H,19,20,23)
InChIKeyBCAMDFSFMUDSCN-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.61
Rot. Bonds3

About 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one

1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 67252249) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
PubChem CID67252249
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccc(N3CCOCC3)c2)c2cccnc2n1O
InChIInChI=1S/C17H17N5O3/c23-17-20-15(14-5-2-6-18-16(14)22(17)24)19-12-3-1-4-13(11-12)21-7-9-25-10-8-21/h1-6,11,24H,7-10H2,(H,19,20,23)
InChIKeyBCAMDFSFMUDSCN-UHFFFAOYSA-N
XLogP1.61
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
4-N-(3-chloro-2,4-difluorophenyl)-4-N-methyl-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 25015407
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
CID 95255148
N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 87042396
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
8-(3-chloroanilino)-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one
CID 134808903
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
5-(4-fluorophenoxy)-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 59588900
2-[[7-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-yl]amino]pyridine-3-carboxamide
CID 58398133

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one (CID 67252249) is 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one is O=c1nc(Nc2cccc(N3CCOCC3)c2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is BCAMDFSFMUDSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-17-20-15(14-5-2-6-18-16(14)22(17)24)19-12-3-1-4-13(11-12)21-7-9-25-10-8-21/h1-6,11,24H,7-10H2,(H,19,20,23).
What are the key properties of 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 339.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 67252249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).