3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide

C23H20Cl2N6O2 — CID 10345191

IUPAC3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(NC(=O)CCN)cc3)nc21
InChIInChI=1S/C23H20Cl2N6O2/c1-31-21-13(11-16(22(31)33)20-17(24)3-2-4-18(20)25)12-27-23(30-21)29-15-7-5-14(6-8-15)28-19(32)9-10-26/h2-8,11-12H,9-10,26H2,1H3,(H,28,32)(H,27,29,30)
InChIKeyBYRBUVTUGSOTSC-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.33
Rot. Bonds6

About 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide

3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide (PubChem CID 10345191) has the molecular formula C23H20Cl2N6O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide
PubChem CID10345191
Molecular FormulaC23H20Cl2N6O2
Molecular Weight483.36 g/mol
Exact Mass482.10
IUPAC Name3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(NC(=O)CCN)cc3)nc21
InChIInChI=1S/C23H20Cl2N6O2/c1-31-21-13(11-16(22(31)33)20-17(24)3-2-4-18(20)25)12-27-23(30-21)29-15-7-5-14(6-8-15)28-19(32)9-10-26/h2-8,11-12H,9-10,26H2,1H3,(H,28,32)(H,27,29,30)
InChIKeyBYRBUVTUGSOTSC-UHFFFAOYSA-N
XLogP4.33
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide with MolForge

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Related Compounds

PD-180970
CID 5311104
PD173955
CID 447077
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
PD-166326
CID 447700
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-[(2-hydroxyethyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327873
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327877
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide (CID 10345191) is 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(NC(=O)CCN)cc3)nc21.
What is the InChIKey of 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide?
The InChIKey is BYRBUVTUGSOTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O2/c1-31-21-13(11-16(22(31)33)20-17(24)3-2-4-18(20)25)12-27-23(30-21)29-15-7-5-14(6-8-15)28-19(32)9-10-26/h2-8,11-12H,9-10,26H2,1H3,(H,28,32)(H,27,29,30).
What are the key properties of 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide?
3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide has a molecular weight of 483.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 10345191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).