N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide

C32H30N4O5 — CID 139881932

IUPACN-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide
SMILESCc1c(C)c2c(c(C)c1NC(=O)c1cccnc1)C(=O)CC(C)(COc1ccc(NC(=O)c3cccnc3)cc1)O2
InChIInChI=1S/C32H30N4O5/c1-19-20(2)29-27(21(3)28(19)36-31(39)23-8-6-14-34-17-23)26(37)15-32(4,41-29)18-40-25-11-9-24(10-12-25)35-30(38)22-7-5-13-33-16-22/h5-14,16-17H,15,18H2,1-4H3,(H,35,38)(H,36,39)
InChIKeyCQZLEMPMIVJJEQ-UHFFFAOYSA-N
MW550.62 g/mol
LogP5.71
Rot. Bonds7

About N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide

N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide (PubChem CID 139881932) has the molecular formula C32H30N4O5 and a molecular weight of 550.62 g/mol. Its IUPAC name is N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide
PubChem CID139881932
Molecular FormulaC32H30N4O5
Molecular Weight550.62 g/mol
Exact Mass550.22
IUPAC NameN-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide
SMILESCc1c(C)c2c(c(C)c1NC(=O)c1cccnc1)C(=O)CC(C)(COc1ccc(NC(=O)c3cccnc3)cc1)O2
InChIInChI=1S/C32H30N4O5/c1-19-20(2)29-27(21(3)28(19)36-31(39)23-8-6-14-34-17-23)26(37)15-32(4,41-29)18-40-25-11-9-24(10-12-25)35-30(38)22-7-5-13-33-16-22/h5-14,16-17H,15,18H2,1-4H3,(H,35,38)(H,36,39)
InChIKeyCQZLEMPMIVJJEQ-UHFFFAOYSA-N
XLogP5.71
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 165130586
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
CID 110705497
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)pyridine-3-carboxamide
CID 108765324
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
[2-[[4-[bis(pyridine-3-carbonyl)amino]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
CID 139881973
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide (CID 139881932) is N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide is Cc1c(C)c2c(c(C)c1NC(=O)c1cccnc1)C(=O)CC(C)(COc1ccc(NC(=O)c3cccnc3)cc1)O2.
What is the InChIKey of N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is CQZLEMPMIVJJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O5/c1-19-20(2)29-27(21(3)28(19)36-31(39)23-8-6-14-34-17-23)26(37)15-32(4,41-29)18-40-25-11-9-24(10-12-25)35-30(38)22-7-5-13-33-16-22/h5-14,16-17H,15,18H2,1-4H3,(H,35,38)(H,36,39).
What are the key properties of N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide?
N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,5,7,8-tetramethyl-4-oxo-6-(pyridine-3-carbonylamino)-3H-chromen-2-yl]methoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 139881932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).