N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide

C29H38N6O3 — CID 57441981

IUPACN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C29H38N6O3/c1-19(2)28(36)33(5)16-22-7-6-8-23(15-22)25-10-9-24-26(30-25)31-29(35-12-14-38-18-21(35)4)32-27(24)34-11-13-37-17-20(34)3/h6-10,15,19-21H,11-14,16-18H2,1-5H3/t20-,21-/m0/s1
InChIKeyCFBKPESEUHYBGQ-SFTDATJTSA-N
MW518.66 g/mol
LogP3.76
Rot. Bonds6

About N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide (PubChem CID 57441981) has the molecular formula C29H38N6O3 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide
PubChem CID57441981
Molecular FormulaC29H38N6O3
Molecular Weight518.66 g/mol
Exact Mass518.30
IUPAC NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C29H38N6O3/c1-19(2)28(36)33(5)16-22-7-6-8-23(15-22)25-10-9-24-26(30-25)31-29(35-12-14-38-18-21(35)4)32-27(24)34-11-13-37-17-20(34)3/h6-10,15,19-21H,11-14,16-18H2,1-5H3/t20-,21-/m0/s1
InChIKeyCFBKPESEUHYBGQ-SFTDATJTSA-N
XLogP3.76
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide (CID 57441981) is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)Cc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide?
The InChIKey is CFBKPESEUHYBGQ-SFTDATJTSA-N. The full InChI is InChI=1S/C29H38N6O3/c1-19(2)28(36)33(5)16-22-7-6-8-23(15-22)25-10-9-24-26(30-25)31-29(35-12-14-38-18-21(35)4)32-27(24)34-11-13-37-17-20(34)3/h6-10,15,19-21H,11-14,16-18H2,1-5H3/t20-,21-/m0/s1.
What are the key properties of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide?
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide has a molecular weight of 518.66 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 57441981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).