N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C24H22N6O3 — CID 90437251

IUPACN-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1ncc2cc(-c3cc(OC)cc(OC)c3)c(N)nc2n1
InChIInChI=1S/C24H22N6O3/c1-4-21(31)27-19-7-5-6-8-20(19)28-24-26-13-15-11-18(22(25)29-23(15)30-24)14-9-16(32-2)12-17(10-14)33-3/h4-13H,1H2,2-3H3,(H,27,31)(H3,25,26,28,29,30)
InChIKeyZXJYMTZCMMDQGI-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.16
Rot. Bonds7

About N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 90437251) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID90437251
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC NameN-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1ncc2cc(-c3cc(OC)cc(OC)c3)c(N)nc2n1
InChIInChI=1S/C24H22N6O3/c1-4-21(31)27-19-7-5-6-8-20(19)28-24-26-13-15-11-18(22(25)29-23(15)30-24)14-9-16(32-2)12-17(10-14)33-3/h4-13H,1H2,2-3H3,(H,27,31)(H3,25,26,28,29,30)
InChIKeyZXJYMTZCMMDQGI-UHFFFAOYSA-N
XLogP4.16
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(3-hydroxy-5-methoxy-N-methylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 118034141
N-[2-[[3-(3,5-dimethoxyphenyl)-1-[(2E)-2-(methylaminomethylidene)but-3-enyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]prop-2-enamide
CID 144709093
6-(3,5-dimethoxyphenyl)-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
CID 11166502
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-5-(prop-2-enoylsulfamoyl)phenyl]prop-2-enamide
CID 164616914
N-[2-[[3-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-4-(1-methylpyrazol-4-yl)phenyl]prop-2-enamide
CID 86267323
1-[2-[4-(2-aminoethoxy)anilino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 58640944
N-[2-[[3-(3-ethyl-5-methoxyphenyl)-1-(1-ethylpiperidin-4-yl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]prop-2-enamide
CID 166654994
3-[[5-chloro-4-[2-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]-4-ethylbenzamide
CID 90330992
2-N-(5-amino-2-methoxyphenyl)-5-chloro-4-N-naphthalen-2-ylpyrimidine-2,4-diamine;N-[3-[[5-chloro-4-(naphthalen-2-ylamino)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;prop-2-enoyl chloride
CID 160606190
N-[2-[[3-(2,6-difluoro-3-methoxy-5-methylphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]prop-2-enamide
CID 166655333
N-[2-[[1-benzyl-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]prop-2-enamide
CID 86269579
N-[2-[[3-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-5-(1,3-thiazol-2-yl)phenyl]prop-2-enamide
CID 86267325

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 90437251) is N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1Nc1ncc2cc(-c3cc(OC)cc(OC)c3)c(N)nc2n1.
What is the InChIKey of N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is ZXJYMTZCMMDQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-4-21(31)27-19-7-5-6-8-20(19)28-24-26-13-15-11-18(22(25)29-23(15)30-24)14-9-16(32-2)12-17(10-14)33-3/h4-13H,1H2,2-3H3,(H,27,31)(H3,25,26,28,29,30).
What are the key properties of N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 442.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 90437251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).