7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride

C22H28ClN7O3 — CID 70926185

IUPAC7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCNCC4)cc3OC)nc21.Cl
InChIInChI=1S/C22H27N7O3.ClH/c1-3-29-19(23)17(20(24)31)18(30)14-11-26-22(28-21(14)29)27-15-5-4-13(10-16(15)32-2)12-6-8-25-9-7-12;/h4-5,10-12,25H,3,6-9,23H2,1-2H3,(H2,24,31)(H,26,27,28);1H
InChIKeyOBIKEDUIIZZHKK-UHFFFAOYSA-N
MW473.97 g/mol
LogP2.13
Rot. Bonds6

About 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride

7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 70926185) has the molecular formula C22H28ClN7O3 and a molecular weight of 473.97 g/mol. Its IUPAC name is 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
PubChem CID70926185
Molecular FormulaC22H28ClN7O3
Molecular Weight473.97 g/mol
Exact Mass473.19
IUPAC Name7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCNCC4)cc3OC)nc21.Cl
InChIInChI=1S/C22H27N7O3.ClH/c1-3-29-19(23)17(20(24)31)18(30)14-11-26-22(28-21(14)29)27-15-5-4-13(10-16(15)32-2)12-6-8-25-9-7-12;/h4-5,10-12,25H,3,6-9,23H2,1-2H3,(H2,24,31)(H,26,27,28);1H
InChIKeyOBIKEDUIIZZHKK-UHFFFAOYSA-N
XLogP2.13
TPSA150.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.97
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride
CID 162169609
7-amino-2-[4-(1-cyclopropylpiperidin-4-yl)-2-methoxyanilino]-8-(2-hydroxy-2-methylpropyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 70926394
7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302581
7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 159115013
7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302920
7-amino-2-[4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]-2-methoxyanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303769
7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303166
7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302805
7-amino-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-2-fluoroanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303162
2-[2-[2-[2-[4-(1-ethylpiperidin-4-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 157250754
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
7-amino-2-[3-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302578

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride (CID 70926185) is 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride is CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCNCC4)cc3OC)nc21.Cl.
What is the InChIKey of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is OBIKEDUIIZZHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3.ClH/c1-3-29-19(23)17(20(24)31)18(30)14-11-26-22(28-21(14)29)27-15-5-4-13(10-16(15)32-2)12-6-8-25-9-7-12;/h4-5,10-12,25H,3,6-9,23H2,1-2H3,(H2,24,31)(H,26,27,28);1H.
What are the key properties of 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride?
7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 473.97 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 70926185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).