N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide

C24H19N5O5 — CID 78673835

IUPACN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
InChIKeyIDGYBMGDEPAAQL-UHFFFAOYSA-N
MW457.45 g/mol
LogP2.64
Rot. Bonds6

About N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide

N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 78673835) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID78673835
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC NameN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
InChIKeyIDGYBMGDEPAAQL-UHFFFAOYSA-N
XLogP2.64
TPSA146.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
(R)-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-(2-(pyridin-2-ylmethylamino)propyl)pyrimidine-2,4(1H,3H)-dione
CID 11477988
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-2-yl)phenyl)imidazolidine-2,4-dione
CID 49865044
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-[(S)-2-(methyl-pyridin-2-ylmethyl-amino)-propyl]-1H-pyrimidine-2,4-dione
CID 44388510
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-{2-[(3-propoxybenzoyl)amino]ethyl}-2-pyridinecarboxamide
CID 2985341
N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2988566
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
CID 9958318
N-{2-[3-(2,6-Diisopropyl-phenyl)-ureido]-1-methyl-1-pyridin-2-yl-ethyl}-4-methoxy-benzamide
CID 10323227
N-((R)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-1-oxo-3-(2-(trifluoromethoxy)phenyl)propan-2-yl)picolinamide
CID 24875059

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide (CID 78673835) is N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is IDGYBMGDEPAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33).
What are the key properties of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 457.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 78673835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).