N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide

C23H27N5O3 — CID 144610795

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide
SMILESCCNc1cc(-c2cnc(OC)cn2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C23H27N5O3/c1-6-24-19-9-16(20-11-26-21(31-5)12-25-20)8-17(15(19)4)22(29)27-10-18-13(2)7-14(3)28-23(18)30/h7-9,11-12,24H,6,10H2,1-5H3,(H,27,29)(H,28,30)
InChIKeyVRDYDCAZOJTFNS-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.13
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide (PubChem CID 144610795) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide
PubChem CID144610795
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide
SMILESCCNc1cc(-c2cnc(OC)cn2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C23H27N5O3/c1-6-24-19-9-16(20-11-26-21(31-5)12-25-20)8-17(15(19)4)22(29)27-10-18-13(2)7-14(3)28-23(18)30/h7-9,11-12,24H,6,10H2,1-5H3,(H,27,29)(H,28,30)
InChIKeyVRDYDCAZOJTFNS-UHFFFAOYSA-N
XLogP3.13
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(2-methoxypyrimidin-5-yl)-2-methylbenzamide
CID 155215801
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
(2R,6R)-4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-5-(6-methoxy-3-pyridinyl)-2-methylanilino]-2,6-dimethylpiperidine-1-carboxylic acid
CID 90102136
5-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1-ethylcyclopropanecarbonyl)amino]-2-methylbenzamide
CID 146535175
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide
CID 146604560
3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 140597876
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,3-thiazol-4-yl)benzamide
CID 140597892
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide
CID 163596270
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
CID 144740565

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide (CID 144610795) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide is CCNc1cc(-c2cnc(OC)cn2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide?
The InChIKey is VRDYDCAZOJTFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-6-24-19-9-16(20-11-26-21(31-5)12-25-20)8-17(15(19)4)22(29)27-10-18-13(2)7-14(3)28-23(18)30/h7-9,11-12,24H,6,10H2,1-5H3,(H,27,29)(H,28,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide has a molecular weight of 421.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(ethylamino)-5-(5-methoxypyrazin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 144610795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).