N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide

C20H22N6O2 — CID 166705219

IUPACN-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)N4CCOCC4)ccc3C)cnc2n1
InChIInChI=1S/C20H22N6O2/c1-13-3-4-16(24-20(27)26-5-7-28-8-6-26)10-17(13)14-9-15-12-23-19(21-2)25-18(15)22-11-14/h3-4,9-12H,5-8H2,1-2H3,(H,24,27)(H,21,22,23,25)
InChIKeyGLYVPRFHUPILGJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.91
Rot. Bonds3

About N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide

N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide (PubChem CID 166705219) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide
PubChem CID166705219
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)N4CCOCC4)ccc3C)cnc2n1
InChIInChI=1S/C20H22N6O2/c1-13-3-4-16(24-20(27)26-5-7-28-8-6-26)10-17(13)14-9-15-12-23-19(21-2)25-18(15)22-11-14/h3-4,9-12H,5-8H2,1-2H3,(H,24,27)(H,21,22,23,25)
InChIKeyGLYVPRFHUPILGJ-UHFFFAOYSA-N
XLogP2.91
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[3-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide;sulfane
CID 159388256
4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-N-[3-(2-morpholin-4-ylethylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
CID 58829298
2,2-difluoro-N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 58829372
N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 162764866
(3S)-N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 166705234
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrrolidine-1-carboxamide
CID 155700271
N-(4-methyl-3-sulfamoylphenyl)morpholine-4-carboxamide
CID 78993692
3-(difluoromethoxy)-N-[2-fluoro-4-methyl-5-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-1-carboxamide
CID 155253721
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
CID 158505438
N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 24664341
N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
CID 143943044
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide (CID 166705219) is N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)N4CCOCC4)ccc3C)cnc2n1.
What is the InChIKey of N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is GLYVPRFHUPILGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-3-4-16(24-20(27)26-5-7-28-8-6-26)10-17(13)14-9-15-12-23-19(21-2)25-18(15)22-11-14/h3-4,9-12H,5-8H2,1-2H3,(H,24,27)(H,21,22,23,25).
What are the key properties of N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide?
N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 166705219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).