N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C25H25N5O2 — CID 177187460

IUPACN-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(-c2nc3cc(C4CCCNC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H25N5O2/c1-14-19-12-28-23(30-24(31)15-4-5-15)10-18(19)20(13-27-14)25-29-21-9-16(6-7-22(21)32-25)17-3-2-8-26-11-17/h6-7,9-10,12-13,15,17,26H,2-5,8,11H2,1H3,(H,28,30,31)
InChIKeyHFCUMKPCMKTRPX-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.56
Rot. Bonds4

About N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177187460) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID177187460
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(-c2nc3cc(C4CCCNC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H25N5O2/c1-14-19-12-28-23(30-24(31)15-4-5-15)10-18(19)20(13-27-14)25-29-21-9-16(6-7-22(21)32-25)17-3-2-8-26-11-17/h6-7,9-10,12-13,15,17,26H,2-5,8,11H2,1H3,(H,28,30,31)
InChIKeyHFCUMKPCMKTRPX-UHFFFAOYSA-N
XLogP4.56
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177187460) is N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ncc(-c2nc3cc(C4CCCNC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is HFCUMKPCMKTRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-14-19-12-28-23(30-24(31)15-4-5-15)10-18(19)20(13-27-14)25-29-21-9-16(6-7-22(21)32-25)17-3-2-8-26-11-17/h6-7,9-10,12-13,15,17,26H,2-5,8,11H2,1H3,(H,28,30,31).
What are the key properties of N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-5-(5-piperidin-3-yl-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177187460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).