2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide

C17H15N5O3 — CID 146097067

IUPAC2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c2cccnc2N1
InChIInChI=1S/C17H15N5O3/c23-14-7-11(10-2-1-5-18-15(10)22-14)16(24)19-8-9-3-4-12-13(6-9)21-17(25)20-12/h1-6,11H,7-8H2,(H,19,24)(H,18,22,23)(H2,20,21,25)
InChIKeyYXIVQXHPOVXQRF-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.99
Rot. Bonds3

About 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide

2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide (PubChem CID 146097067) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide
PubChem CID146097067
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c2cccnc2N1
InChIInChI=1S/C17H15N5O3/c23-14-7-11(10-2-1-5-18-15(10)22-14)16(24)19-8-9-3-4-12-13(6-9)21-17(25)20-12/h1-6,11H,7-8H2,(H,19,24)(H,18,22,23)(H2,20,21,25)
InChIKeyYXIVQXHPOVXQRF-UHFFFAOYSA-N
XLogP0.99
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide (CID 146097067) is 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide is O=C1CC(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c2cccnc2N1.
What is the InChIKey of 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
The InChIKey is YXIVQXHPOVXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-14-7-11(10-2-1-5-18-15(10)22-14)16(24)19-8-9-3-4-12-13(6-9)21-17(25)20-12/h1-6,11H,7-8H2,(H,19,24)(H,18,22,23)(H2,20,21,25).
What are the key properties of 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 146097067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).