N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

C28H31N7O2 — CID 11612977

IUPACN-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNCCNC(=O)c1nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2cc1-c1ccccc1C
InChIInChI=1S/C28H31N7O2/c1-19-5-3-4-6-23(19)24-17-20-18-31-28(34-26(20)33-25(24)27(36)30-12-11-29-2)32-21-7-9-22(10-8-21)35-13-15-37-16-14-35/h3-10,17-18,29H,11-16H2,1-2H3,(H,30,36)(H,31,32,33,34)
InChIKeyRUNHXYADSQKEOD-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.53
Rot. Bonds8

About N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11612977) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID11612977
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC NameN-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCNCCNC(=O)c1nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2cc1-c1ccccc1C
InChIInChI=1S/C28H31N7O2/c1-19-5-3-4-6-23(19)24-17-20-18-31-28(34-26(20)33-25(24)27(36)30-12-11-29-2)32-21-7-9-22(10-8-21)35-13-15-37-16-14-35/h3-10,17-18,29H,11-16H2,1-2H3,(H,30,36)(H,31,32,33,34)
InChIKeyRUNHXYADSQKEOD-UHFFFAOYSA-N
XLogP3.53
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-ylanilino)-6-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxylic acid
CID 68819126
6-(2-bromophenyl)-2-(4-fluoroanilino)-N-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11444441
N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 159280584
6-(2-bromophenyl)-2-(4-fluoroanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 90963952
N-(2,6-dimethylphenyl)-4-[[5-methyl-4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 72725627
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
N-hydroxy-3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxamide
CID 168866708
N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide
CID 166705219
6-(2-bromophenyl)-N-(2-hydroxyethyl)-2-(3-methylsulfinylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 11318463
4-chloro-3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenol
CID 155565534
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 155527161
N-methyl-N'-[4-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylphenyl]butanediamide
CID 59491687

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11612977) is N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is CNCCNC(=O)c1nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2cc1-c1ccccc1C.
What is the InChIKey of N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is RUNHXYADSQKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-19-5-3-4-6-23(19)24-17-20-18-31-28(34-26(20)33-25(24)27(36)30-12-11-29-2)32-21-7-9-22(10-8-21)35-13-15-37-16-14-35/h3-10,17-18,29H,11-16H2,1-2H3,(H,30,36)(H,31,32,33,34).
What are the key properties of N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?
N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-6-(2-methylphenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11612977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).