1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide

C23H21N5O2 — CID 135630004

IUPAC1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3nccc(-c4cccc5ccccc45)c3c(=O)[nH]2)CC1
InChIInChI=1S/C23H21N5O2/c24-20(29)15-9-12-28(13-10-15)23-26-21-19(22(30)27-23)18(8-11-25-21)17-7-3-5-14-4-1-2-6-16(14)17/h1-8,11,15H,9-10,12-13H2,(H2,24,29)(H,25,26,27,30)
InChIKeyFKOWDRIGINNDGO-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.84
Rot. Bonds3

About 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide

1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 135630004) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID135630004
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3nccc(-c4cccc5ccccc45)c3c(=O)[nH]2)CC1
InChIInChI=1S/C23H21N5O2/c24-20(29)15-9-12-28(13-10-15)23-26-21-19(22(30)27-23)18(8-11-25-21)17-7-3-5-14-4-1-2-6-16(14)17/h1-8,11,15H,9-10,12-13H2,(H2,24,29)(H,25,26,27,30)
InChIKeyFKOWDRIGINNDGO-UHFFFAOYSA-N
XLogP2.84
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide (CID 135630004) is 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc3nccc(-c4cccc5ccccc45)c3c(=O)[nH]2)CC1.
What is the InChIKey of 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is FKOWDRIGINNDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-20(29)15-9-12-28(13-10-15)23-26-21-19(22(30)27-23)18(8-11-25-21)17-7-3-5-14-4-1-2-6-16(14)17/h1-8,11,15H,9-10,12-13H2,(H2,24,29)(H,25,26,27,30).
What are the key properties of 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide?
1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-1-yl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 135630004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).