6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one

C18H17N3O — CID 170627291

IUPAC6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2ccccc2)c2cc(NCC3CC3)ncc12
InChIInChI=1S/C18H17N3O/c22-18-16-11-20-17(19-9-12-6-7-12)8-14(16)15(10-21-18)13-4-2-1-3-5-13/h1-5,8,10-12H,6-7,9H2,(H,19,20)(H,21,22)
InChIKeyIZKLCXCZKTZMJI-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.41
Rot. Bonds4

About 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one

6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one (PubChem CID 170627291) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one
PubChem CID170627291
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2ccccc2)c2cc(NCC3CC3)ncc12
InChIInChI=1S/C18H17N3O/c22-18-16-11-20-17(19-9-12-6-7-12)8-14(16)15(10-21-18)13-4-2-1-3-5-13/h1-5,8,10-12H,6-7,9H2,(H,19,20)(H,21,22)
InChIKeyIZKLCXCZKTZMJI-UHFFFAOYSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one (CID 170627291) is 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one is O=c1[nH]cc(-c2ccccc2)c2cc(NCC3CC3)ncc12.
What is the InChIKey of 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one?
The InChIKey is IZKLCXCZKTZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18-16-11-20-17(19-9-12-6-7-12)8-14(16)15(10-21-18)13-4-2-1-3-5-13/h1-5,8,10-12H,6-7,9H2,(H,19,20)(H,21,22).
What are the key properties of 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one?
6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one has a molecular weight of 291.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethylamino)-4-phenyl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 170627291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).