2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide

C26H31N5O3 — CID 90461059

IUPAC2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1
InChIInChI=1S/C26H31N5O3/c1-5-29(3)24-15-19(8-9-27-24)25(32)28-21-7-6-18(2)22(16-21)20-14-23(26(33)30(4)17-20)31-10-12-34-13-11-31/h6-9,14-17H,5,10-13H2,1-4H3,(H,28,32)
InChIKeyFPKMKJUJDXTTKL-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.30
Rot. Bonds6

About 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide

2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide (PubChem CID 90461059) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
PubChem CID90461059
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1
InChIInChI=1S/C26H31N5O3/c1-5-29(3)24-15-19(8-9-27-24)25(32)28-21-7-6-18(2)22(16-21)20-14-23(26(33)30(4)17-20)31-10-12-34-13-11-31/h6-9,14-17H,5,10-13H2,1-4H3,(H,28,32)
InChIKeyFPKMKJUJDXTTKL-UHFFFAOYSA-N
XLogP3.30
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90407957
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 90461181
4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
CID 90456400
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
CID 90456439
2-[3-[[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]carbamoyl]-5-(trifluoromethyl)phenyl]propan-2-ylcarbamic acid
CID 90456253
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
CID 90457250
2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90460976
5-(2,5-dimethylphenyl)-1-methyl-3-morpholin-4-ylpyridin-2-one
CID 123391037
2-fluoro-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425724
3-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-(methylaminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 159857841
(E)-2-[(Z)-2-(methylideneamino)-2-[methyl-[2-(methylamino)ethyl]amino]ethenyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]but-2-enamide
CID 130425629

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide (CID 90461059) is 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide is CCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The InChIKey is FPKMKJUJDXTTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-5-29(3)24-15-19(8-9-27-24)25(32)28-21-7-6-18(2)22(16-21)20-14-23(26(33)30(4)17-20)31-10-12-34-13-11-31/h6-9,14-17H,5,10-13H2,1-4H3,(H,28,32).
What are the key properties of 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).