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

C24H28N6O3 — CID 57441868

IUPAC4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(N)=O)cc3)nc2n1
InChIInChI=1S/C24H28N6O3/c1-15-13-32-11-9-29(15)23-19-7-8-20(17-3-5-18(6-4-17)21(25)31)26-22(19)27-24(28-23)30-10-12-33-14-16(30)2/h3-8,15-16H,9-14H2,1-2H3,(H2,25,31)/t15-,16-/m0/s1
InChIKeyZSFZYLMPKBDJKI-HOTGVXAUSA-N
MW448.53 g/mol
LogP2.24
Rot. Bonds4

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

4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 57441868) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID57441868
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(N)=O)cc3)nc2n1
InChIInChI=1S/C24H28N6O3/c1-15-13-32-11-9-29(15)23-19-7-8-20(17-3-5-18(6-4-17)21(25)31)26-22(19)27-24(28-23)30-10-12-33-14-16(30)2/h3-8,15-16H,9-14H2,1-2H3,(H2,25,31)/t15-,16-/m0/s1
InChIKeyZSFZYLMPKBDJKI-HOTGVXAUSA-N
XLogP2.24
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 57441868) is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(N)=O)cc3)nc2n1.
What is the InChIKey of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is ZSFZYLMPKBDJKI-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-13-32-11-9-29(15)23-19-7-8-20(17-3-5-18(6-4-17)21(25)31)26-22(19)27-24(28-23)30-10-12-33-14-16(30)2/h3-8,15-16H,9-14H2,1-2H3,(H2,25,31)/t15-,16-/m0/s1.
What are the key properties of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide?
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 448.53 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 57441868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).