N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide

C25H23N5O4 — CID 46267998

IUPACN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C25H23N5O4/c1-16-26-22(15-23(27-16)30-10-12-33-13-11-30)28-18-6-8-19(9-7-18)29-24(31)20-14-17-4-2-3-5-21(17)34-25(20)32/h2-9,14-15H,10-13H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyMQJGZLDBIMUGPR-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.72
Rot. Bonds5

About N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide

N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 46267998) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
PubChem CID46267998
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C25H23N5O4/c1-16-26-22(15-23(27-16)30-10-12-33-13-11-30)28-18-6-8-19(9-7-18)29-24(31)20-14-17-4-2-3-5-21(17)34-25(20)32/h2-9,14-15H,10-13H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyMQJGZLDBIMUGPR-UHFFFAOYSA-N
XLogP3.72
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-2-one
CID 20896350
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 121090436
8-methoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 122297017
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122297365
2,4,5-trifluoro-3-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122297414
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155
2-(2-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297387
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122297288
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxypropanamide
CID 122297268

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide (CID 46267998) is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide is Cc1nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is MQJGZLDBIMUGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-16-26-22(15-23(27-16)30-10-12-33-13-11-30)28-18-6-8-19(9-7-18)29-24(31)20-14-17-4-2-3-5-21(17)34-25(20)32/h2-9,14-15H,10-13H2,1H3,(H,29,31)(H,26,27,28).
What are the key properties of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 46267998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).