1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one

C19H15N5O3 — CID 154344900

IUPAC1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1cncc(-c2cccc(Nc3nc(=O)n(O)c4ncccc34)c2)c1
InChIInChI=1S/C19H15N5O3/c1-27-15-9-13(10-20-11-15)12-4-2-5-14(8-12)22-17-16-6-3-7-21-18(16)24(26)19(25)23-17/h2-11,26H,1H3,(H,22,23,25)
InChIKeyBHYAHZFKMDYLGM-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.84
Rot. Bonds4

About 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one

1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 154344900) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
PubChem CID154344900
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1cncc(-c2cccc(Nc3nc(=O)n(O)c4ncccc34)c2)c1
InChIInChI=1S/C19H15N5O3/c1-27-15-9-13(10-20-11-15)12-4-2-5-14(8-12)22-17-16-6-3-7-21-18(16)24(26)19(25)23-17/h2-11,26H,1H3,(H,22,23,25)
InChIKeyBHYAHZFKMDYLGM-UHFFFAOYSA-N
XLogP2.84
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.84
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-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154366196
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylbenzamide
CID 53258699
1-hydroxy-4-[3-(2-methyl-3,4-dihydro-2H-azepin-6-yl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 123359644
4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 91664428
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
2-[4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134815319
ethyl 3-[3-[[1-(2-methylpropoxy)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]phenyl]benzoate
CID 123645844
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
6-[[6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-yl]amino]-3H-1,3-benzothiazol-2-one
CID 71180042
4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123765562
N-(3-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690984

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one (CID 154344900) is 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one is COc1cncc(-c2cccc(Nc3nc(=O)n(O)c4ncccc34)c2)c1.
What is the InChIKey of 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is BHYAHZFKMDYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-27-15-9-13(10-20-11-15)12-4-2-5-14(8-12)22-17-16-6-3-7-21-18(16)24(26)19(25)23-17/h2-11,26H,1H3,(H,22,23,25).
What are the key properties of 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 361.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154344900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).