N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C19H15N5O4 — CID 167915628

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H15N5O4/c1-11-8-13(28-18-12(9-20)4-3-7-21-18)5-6-15(11)22-16(25)14-10-24(2)19(27)23-17(14)26/h3-8,10H,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyHXZFXZPYEWZEDX-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.69
Rot. Bonds4

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 167915628) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID167915628
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H15N5O4/c1-11-8-13(28-18-12(9-20)4-3-7-21-18)5-6-15(11)22-16(25)14-10-24(2)19(27)23-17(14)26/h3-8,10H,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyHXZFXZPYEWZEDX-UHFFFAOYSA-N
XLogP1.69
TPSA129.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 51114372
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 46428399
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55764190
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
CID 55763912
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112830947
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576700
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
7-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 55647529
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 55647504

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 167915628) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is HXZFXZPYEWZEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-11-8-13(28-18-12(9-20)4-3-7-21-18)5-6-15(11)22-16(25)14-10-24(2)19(27)23-17(14)26/h3-8,10H,1-2H3,(H,22,25)(H,23,26,27).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 167915628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).