7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

C21H25N7O2 — CID 123568985

IUPAC7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(N(c3ccccc3)C3CCNCC3)nc21
InChIInChI=1S/C21H25N7O2/c1-2-27-18(22)16(19(23)30)17(29)15-12-25-21(26-20(15)27)28(13-6-4-3-5-7-13)14-8-10-24-11-9-14/h3-7,12,14,24H,2,8-11,22H2,1H3,(H2,23,30)
InChIKeySSPOJWYIUCSKDV-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.38
Rot. Bonds5

About 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 123568985) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID123568985
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(N(c3ccccc3)C3CCNCC3)nc21
InChIInChI=1S/C21H25N7O2/c1-2-27-18(22)16(19(23)30)17(29)15-12-25-21(26-20(15)27)28(13-6-4-3-5-7-13)14-8-10-24-11-9-14/h3-7,12,14,24H,2,8-11,22H2,1H3,(H2,23,30)
InChIKeySSPOJWYIUCSKDV-UHFFFAOYSA-N
XLogP1.38
TPSA132.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
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8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 123568985) is 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(N)=O)c(=O)c2cnc(N(c3ccccc3)C3CCNCC3)nc21.
What is the InChIKey of 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SSPOJWYIUCSKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-2-27-18(22)16(19(23)30)17(29)15-12-25-21(26-20(15)27)28(13-6-4-3-5-7-13)14-8-10-24-11-9-14/h3-7,12,14,24H,2,8-11,22H2,1H3,(H2,23,30).
What are the key properties of 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 123568985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).