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

C23H29N7O2 — CID 53302920

IUPAC7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(N)=O)c(N)n(CC)c4n3)cc2)CC1
InChIInChI=1S/C23H29N7O2/c1-3-29-11-9-15(10-12-29)14-5-7-16(8-6-14)27-23-26-13-17-19(31)18(21(25)32)20(24)30(4-2)22(17)28-23/h5-8,13,15H,3-4,9-12,24H2,1-2H3,(H2,25,32)(H,26,27,28)
InChIKeyCYLAUECOYULTHH-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.44
Rot. Bonds6

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

7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53302920) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53302920
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(N)=O)c(N)n(CC)c4n3)cc2)CC1
InChIInChI=1S/C23H29N7O2/c1-3-29-11-9-15(10-12-29)14-5-7-16(8-6-14)27-23-26-13-17-19(31)18(21(25)32)20(24)30(4-2)22(17)28-23/h5-8,13,15H,3-4,9-12,24H2,1-2H3,(H2,25,32)(H,26,27,28)
InChIKeyCYLAUECOYULTHH-UHFFFAOYSA-N
XLogP2.44
TPSA132.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 53302920) is 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCN1CCC(c2ccc(Nc3ncc4c(=O)c(C(N)=O)c(N)n(CC)c4n3)cc2)CC1.
What is the InChIKey of 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CYLAUECOYULTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-3-29-11-9-15(10-12-29)14-5-7-16(8-6-14)27-23-26-13-17-19(31)18(21(25)32)20(24)30(4-2)22(17)28-23/h5-8,13,15H,3-4,9-12,24H2,1-2H3,(H2,25,32)(H,26,27,28).
What are the key properties of 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53302920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).