N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide

C27H21N5O3 — CID 24936706

IUPACN-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide
SMILESCOn1c(=O)c(-c2cccc(NC(=O)c3ccccc3)c2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C27H21N5O3/c1-35-32-24-20(17-28-27(31-24)30-21-12-6-3-7-13-21)16-23(26(32)34)19-11-8-14-22(15-19)29-25(33)18-9-4-2-5-10-18/h2-17H,1H3,(H,29,33)(H,28,30,31)
InChIKeyYVRQGDGFQWNYIS-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.51
Rot. Bonds6

About N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide

N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide (PubChem CID 24936706) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide
PubChem CID24936706
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC NameN-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide
SMILESCOn1c(=O)c(-c2cccc(NC(=O)c3ccccc3)c2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C27H21N5O3/c1-35-32-24-20(17-28-27(31-24)30-21-12-6-3-7-13-21)16-23(26(32)34)19-11-8-14-22(15-19)29-25(33)18-9-4-2-5-10-18/h2-17H,1H3,(H,29,33)(H,28,30,31)
InChIKeyYVRQGDGFQWNYIS-UHFFFAOYSA-N
XLogP4.51
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-3-(trifluoromethyl)benzamide
CID 24936955
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide
CID 24936831
6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 24938205
4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 58395637
6-(2,6-dichlorophenyl)-2-[4-(hydroxyiminomethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 76775743
2-[4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 67334505
6-(2,6-dichlorophenyl)-2-(4-methanimidoylanilino)-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90201090
6-(2,6-dichlorophenyl)-2-[4-[(3-hydroxyazetidin-1-yl)methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 58395672
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
N-[3-[5-(2-anilinopyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 46886311
6-(2,6-dichlorophenyl)-8-methoxy-2-[4-(2-oxo-5-pyrrolidin-1-ylpentyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 58395649

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide?
The IUPAC name of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide (CID 24936706) is N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide is COn1c(=O)c(-c2cccc(NC(=O)c3ccccc3)c2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide?
The InChIKey is YVRQGDGFQWNYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-35-32-24-20(17-28-27(31-24)30-21-12-6-3-7-13-21)16-23(26(32)34)19-11-8-14-22(15-19)29-25(33)18-9-4-2-5-10-18/h2-17H,1H3,(H,29,33)(H,28,30,31).
What are the key properties of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide?
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide has a molecular weight of 463.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide is sourced from PubChem (CID 24936706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).