3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide

C25H30N6O3 — CID 91383643

IUPAC3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide
SMILESCC1COCCN1c1nc(N2CCOCC2C)c2ccc(Cc3cccc(C(N)=O)c3)nc2n1
InChIInChI=1S/C25H30N6O3/c1-16-14-33-10-8-30(16)24-21-7-6-20(13-18-4-3-5-19(12-18)22(26)32)27-23(21)28-25(29-24)31-9-11-34-15-17(31)2/h3-7,12,16-17H,8-11,13-15H2,1-2H3,(H2,26,32)
InChIKeyVIYDPKJVAPRZDL-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.16
Rot. Bonds5

About 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide

3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide (PubChem CID 91383643) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide
PubChem CID91383643
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide
SMILESCC1COCCN1c1nc(N2CCOCC2C)c2ccc(Cc3cccc(C(N)=O)c3)nc2n1
InChIInChI=1S/C25H30N6O3/c1-16-14-33-10-8-30(16)24-21-7-6-20(13-18-4-3-5-19(12-18)22(26)32)27-23(21)28-25(29-24)31-9-11-34-15-17(31)2/h3-7,12,16-17H,8-11,13-15H2,1-2H3,(H2,26,32)
InChIKeyVIYDPKJVAPRZDL-UHFFFAOYSA-N
XLogP2.16
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Vistusertib
CID 25262792
Mti-31
CID 118591386
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-5-yl]-benzamide
CID 44381459
(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 46882231
(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 57441855
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzamide
CID 57441994
1-[4-(7-benzoyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 59239089
ethyl N-[4-(7-benzoyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]carbamate
CID 59239380
3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 71250872
2-[[4-[5,7-bis[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]phenyl]methylamino]ethanol
CID 126601773
1-[4-[4-(Dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 126752691
6-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-3H-quinazolin-4-one
CID 135983984

Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide?
The IUPAC name of 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide (CID 91383643) is 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide.
What is the SMILES notation for 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide?
The canonical SMILES for 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide is CC1COCCN1c1nc(N2CCOCC2C)c2ccc(Cc3cccc(C(N)=O)c3)nc2n1.
What is the InChIKey of 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide?
The InChIKey is VIYDPKJVAPRZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16-14-33-10-8-30(16)24-21-7-6-20(13-18-4-3-5-19(12-18)22(26)32)27-23(21)28-25(29-24)31-9-11-34-15-17(31)2/h3-7,12,16-17H,8-11,13-15H2,1-2H3,(H2,26,32).
What are the key properties of 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide?
3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methyl]benzamide is sourced from PubChem (CID 91383643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).