N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide

C26H32N6O2 — CID 58279487

IUPACN-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCCC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C26H32N6O2/c1-17-7-4-5-12-32(17)26-29-23-21(24(30-26)31-13-14-34-16-18(31)2)10-11-22(28-23)19-8-6-9-20(15-19)25(33)27-3/h6,8-11,15,17-18H,4-5,7,12-14,16H2,1-3H3,(H,27,33)/t17-,18-/m0/s1
InChIKeyAWBLTBIAYVKPIB-ROUUACIJSA-N
MW460.58 g/mol
LogP3.66
Rot. Bonds4

About N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide

N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 58279487) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID58279487
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC NameN-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCCC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C26H32N6O2/c1-17-7-4-5-12-32(17)26-29-23-21(24(30-26)31-13-14-34-16-18(31)2)10-11-22(28-23)19-8-6-9-20(15-19)25(33)27-3/h6,8-11,15,17-18H,4-5,7,12-14,16H2,1-3H3,(H,27,33)/t17-,18-/m0/s1
InChIKeyAWBLTBIAYVKPIB-ROUUACIJSA-N
XLogP3.66
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 58279487) is N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide is CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCCC[C@@H]4C)nc3n2)c1.
What is the InChIKey of N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is AWBLTBIAYVKPIB-ROUUACIJSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-17-7-4-5-12-32(17)26-29-23-21(24(30-26)31-13-14-34-16-18(31)2)10-11-22(28-23)19-8-6-9-20(15-19)25(33)27-3/h6,8-11,15,17-18H,4-5,7,12-14,16H2,1-3H3,(H,27,33)/t17-,18-/m0/s1.
What are the key properties of N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 460.58 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 58279487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).