N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide

C18H20N6O — CID 138589589

IUPACN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCCCN4)cc3n2)cn1
InChIInChI=1S/C18H20N6O/c1-24-11-13(10-21-24)14-6-5-12-9-20-17(8-16(12)22-14)23-18(25)15-4-2-3-7-19-15/h5-6,8-11,15,19H,2-4,7H2,1H3,(H,20,23,25)
InChIKeyOSVUXZZIQGATED-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.11
Rot. Bonds3

About N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide

N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide (PubChem CID 138589589) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
PubChem CID138589589
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCCCN4)cc3n2)cn1
InChIInChI=1S/C18H20N6O/c1-24-11-13(10-21-24)14-6-5-12-9-20-17(8-16(12)22-14)23-18(25)15-4-2-3-7-19-15/h5-6,8-11,15,19H,2-4,7H2,1H3,(H,20,23,25)
InChIKeyOSVUXZZIQGATED-UHFFFAOYSA-N
XLogP2.11
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide (CID 138589589) is N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)C4CCCCN4)cc3n2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide?
The InChIKey is OSVUXZZIQGATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24-11-13(10-21-24)14-6-5-12-9-20-17(8-16(12)22-14)23-18(25)15-4-2-3-7-19-15/h5-6,8-11,15,19H,2-4,7H2,1H3,(H,20,23,25).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide?
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide is sourced from PubChem (CID 138589589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).