N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C26H27N5O3 — CID 170627478

IUPACN-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3cc(C4CCOCC4C)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C26H27N5O3/c1-14-13-33-8-7-17(14)16-5-6-22-21(9-16)30-26(34-22)20-12-29-24(27-2)19-11-28-23(10-18(19)20)31-25(32)15-3-4-15/h5-6,9-12,14-15,17H,3-4,7-8,13H2,1-2H3,(H,27,29)(H,28,31,32)
InChIKeyIVNPDJSLSUEKDE-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.97
Rot. Bonds5

About N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170627478) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170627478
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(-c2nc3cc(C4CCOCC4C)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C26H27N5O3/c1-14-13-33-8-7-17(14)16-5-6-22-21(9-16)30-26(34-22)20-12-29-24(27-2)19-11-28-23(10-18(19)20)31-25(32)15-3-4-15/h5-6,9-12,14-15,17H,3-4,7-8,13H2,1-2H3,(H,27,29)(H,28,31,32)
InChIKeyIVNPDJSLSUEKDE-UHFFFAOYSA-N
XLogP4.97
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170627478) is N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2nc3cc(C4CCOCC4C)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is IVNPDJSLSUEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-14-13-33-8-7-17(14)16-5-6-22-21(9-16)30-26(34-22)20-12-29-24(27-2)19-11-28-23(10-18(19)20)31-25(32)15-3-4-15/h5-6,9-12,14-15,17H,3-4,7-8,13H2,1-2H3,(H,27,29)(H,28,31,32).
What are the key properties of N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170627478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).