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

C24H24N4O3 — CID 177187476

IUPACN-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCc1ncc(-c2nc3cc(C(C)(C)O)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H24N4O3/c1-4-18-16-11-26-21(28-22(29)13-5-6-13)10-15(16)17(12-25-18)23-27-19-9-14(24(2,3)30)7-8-20(19)31-23/h7-13,30H,4-6H2,1-3H3,(H,26,28,29)
InChIKeyRSHANJXAAHPAET-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.58
Rot. Bonds5

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

N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177187476) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID177187476
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCc1ncc(-c2nc3cc(C(C)(C)O)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H24N4O3/c1-4-18-16-11-26-21(28-22(29)13-5-6-13)10-15(16)17(12-25-18)23-27-19-9-14(24(2,3)30)7-8-20(19)31-23/h7-13,30H,4-6H2,1-3H3,(H,26,28,29)
InChIKeyRSHANJXAAHPAET-UHFFFAOYSA-N
XLogP4.58
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177187476) is N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CCc1ncc(-c2nc3cc(C(C)(C)O)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is RSHANJXAAHPAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-18-16-11-26-21(28-22(29)13-5-6-13)10-15(16)17(12-25-18)23-27-19-9-14(24(2,3)30)7-8-20(19)31-23/h7-13,30H,4-6H2,1-3H3,(H,26,28,29).
What are the key properties of N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-ethyl-5-[5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177187476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).