N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide

C26H25N5O3 — CID 121090436

IUPACN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C26H25N5O3/c1-17-15-23(30-26(27-17)31-13-5-2-6-14-31)28-19-9-11-20(12-10-19)29-24(32)21-16-18-7-3-4-8-22(18)34-25(21)33/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,29,32)(H,27,28,30)
InChIKeyNQBXZHQQCQILHN-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.88
Rot. Bonds5

About N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide

N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 121090436) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
PubChem CID121090436
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C26H25N5O3/c1-17-15-23(30-26(27-17)31-13-5-2-6-14-31)28-19-9-11-20(12-10-19)29-24(32)21-16-18-7-3-4-8-22(18)34-25(21)33/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,29,32)(H,27,28,30)
InChIKeyNQBXZHQQCQILHN-UHFFFAOYSA-N
XLogP4.88
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
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3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121090382
2-(difluoromethylsulfonyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
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N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122295885
4-(4-anilino-6-methylpyrimidin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 22585325
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3,5-dinitrobenzamide
CID 121090446
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-ylbenzamide
CID 122295711
1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-6-oxopyridazine-3-carboxamide
CID 122295615
1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide
CID 122295622
1-(3,5-difluorophenyl)-3-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 53048053
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122295907

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide (CID 121090436) is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is NQBXZHQQCQILHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17-15-23(30-26(27-17)31-13-5-2-6-14-31)28-19-9-11-20(12-10-19)29-24(32)21-16-18-7-3-4-8-22(18)34-25(21)33/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,29,32)(H,27,28,30).
What are the key properties of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide?
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 121090436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).