N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide

C30H24N4O3 — CID 10299946

IUPACN-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCc4ccccc4)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C30H24N4O3/c35-28-25-10-5-15-31-29(25)34(18-26(28)30(36)33-23-12-13-23)24-9-4-8-21(16-24)22-11-14-27(32-17-22)37-19-20-6-2-1-3-7-20/h1-11,14-18,23H,12-13,19H2,(H,33,36)
InChIKeyLOFDNGMMMXFQJV-UHFFFAOYSA-N
MW488.55 g/mol
LogP4.92
Rot. Bonds7

About N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 10299946) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID10299946
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC NameN-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCc4ccccc4)nc3)c2)c2ncccc2c1=O
InChIInChI=1S/C30H24N4O3/c35-28-25-10-5-15-31-29(25)34(18-26(28)30(36)33-23-12-13-23)24-9-4-8-21(16-24)22-11-14-27(32-17-22)37-19-20-6-2-1-3-7-20/h1-11,14-18,23H,12-13,19H2,(H,33,36)
InChIKeyLOFDNGMMMXFQJV-UHFFFAOYSA-N
XLogP4.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 10299946) is N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(OCc4ccccc4)nc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is LOFDNGMMMXFQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c35-28-25-10-5-15-31-29(25)34(18-26(28)30(36)33-23-12-13-23)24-9-4-8-21(16-24)22-11-14-27(32-17-22)37-19-20-6-2-1-3-7-20/h1-11,14-18,23H,12-13,19H2,(H,33,36).
What are the key properties of N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10299946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).