7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C22H27N7O3 — CID 53302806

IUPAC7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C22H27N7O3/c1-3-29-19(23)17(20(24)31)18(30)16-12-25-22(27-21(16)29)26-13-4-6-14(7-5-13)32-15-8-10-28(2)11-9-15/h4-7,12,15H,3,8-11,23H2,1-2H3,(H2,24,31)(H,25,26,27)
InChIKeyTVQRLARWAXWMMR-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.71
Rot. Bonds6

About 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53302806) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53302806
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C22H27N7O3/c1-3-29-19(23)17(20(24)31)18(30)16-12-25-22(27-21(16)29)26-13-4-6-14(7-5-13)32-15-8-10-28(2)11-9-15/h4-7,12,15H,3,8-11,23H2,1-2H3,(H2,24,31)(H,25,26,27)
InChIKeyTVQRLARWAXWMMR-UHFFFAOYSA-N
XLogP1.71
TPSA141.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 58
CID 5330244
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108905
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 59
CID 5330245
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 60
CID 5330246
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 53302806) is 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is TVQRLARWAXWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-3-29-19(23)17(20(24)31)18(30)16-12-25-22(27-21(16)29)26-13-4-6-14(7-5-13)32-15-8-10-28(2)11-9-15/h4-7,12,15H,3,8-11,23H2,1-2H3,(H2,24,31)(H,25,26,27).
What are the key properties of 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53302806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).