8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one

C23H29N5O2 — CID 5330222

IUPAC8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)nc21
InChIInChI=1S/C23H29N5O2/c1-2-28-21(30)10-5-18-16-24-23(26-22(18)28)25-19-6-8-20(9-7-19)27-13-11-17(12-14-27)4-3-15-29/h5-10,16-17,29H,2-4,11-15H2,1H3,(H,24,25,26)
InChIKeyNNAOBZFDMGBSMB-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.54
Rot. Bonds7

About 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330222) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330222
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)nc21
InChIInChI=1S/C23H29N5O2/c1-2-28-21(30)10-5-18-16-24-23(26-22(18)28)25-19-6-8-20(9-7-19)27-13-11-17(12-14-27)4-3-15-29/h5-10,16-17,29H,2-4,11-15H2,1H3,(H,24,25,26)
InChIKeyNNAOBZFDMGBSMB-UHFFFAOYSA-N
XLogP3.54
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5330222) is 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(N4CCC(CCCO)CC4)cc3)nc21.
What is the InChIKey of 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NNAOBZFDMGBSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-28-21(30)10-5-18-16-24-23(26-22(18)28)25-19-6-8-20(9-7-19)27-13-11-17(12-14-27)4-3-15-29/h5-10,16-17,29H,2-4,11-15H2,1H3,(H,24,25,26).
What are the key properties of 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 407.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).