N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide

C24H22ClN5O3 — CID 24936831

IUPACN-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(Cl)c(-c2cc3cnc(Nc4ccccc4)nc3n(OC)c2=O)c1
InChIInChI=1S/C24H22ClN5O3/c1-4-21(31)29(2)17-10-11-20(25)18(13-17)19-12-15-14-26-24(27-16-8-6-5-7-9-16)28-22(15)30(33-3)23(19)32/h5-14H,4H2,1-3H3,(H,26,27,28)
InChIKeyDMLZAWGOOHMTHH-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.29
Rot. Bonds6

About N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide

N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide (PubChem CID 24936831) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide
PubChem CID24936831
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC NameN-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(Cl)c(-c2cc3cnc(Nc4ccccc4)nc3n(OC)c2=O)c1
InChIInChI=1S/C24H22ClN5O3/c1-4-21(31)29(2)17-10-11-20(25)18(13-17)19-12-15-14-26-24(27-16-8-6-5-7-9-16)28-22(15)30(33-3)23(19)32/h5-14H,4H2,1-3H3,(H,26,27,28)
InChIKeyDMLZAWGOOHMTHH-UHFFFAOYSA-N
XLogP4.29
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-3-(trifluoromethyl)benzamide
CID 24936955
2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane
CID 157056831
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide
CID 24936706
6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 24938205
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzonitrile
CID 58395637
6-(2,6-dichlorophenyl)-2-[4-(hydroxyiminomethyl)anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 76775743
6-(2,6-dichlorophenyl)-2-[3-[[[(3S)-3-hydroxybutyl]-methylamino]methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 71103525
4-chloro-N-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-hydroxybenzamide
CID 70960629
6-(2,6-dichlorophenyl)-2-[4-[(3-hydroxyazetidin-1-yl)methyl]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 58395672
6-(2,6-dichlorophenyl)-2-(4-methanimidoylanilino)-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90201090
2-[4-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 67334505

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide?
The IUPAC name of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide (CID 24936831) is N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(Cl)c(-c2cc3cnc(Nc4ccccc4)nc3n(OC)c2=O)c1.
What is the InChIKey of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide?
The InChIKey is DMLZAWGOOHMTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-4-21(31)29(2)17-10-11-20(25)18(13-17)19-12-15-14-26-24(27-16-8-6-5-7-9-16)28-22(15)30(33-3)23(19)32/h5-14H,4H2,1-3H3,(H,26,27,28).
What are the key properties of N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide?
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide has a molecular weight of 463.93 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-N-methylpropanamide is sourced from PubChem (CID 24936831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).