N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide

C24H27N5O2 — CID 70910893

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide
SMILESCCCN1CCN=C1C(=O)Nc1ccc(C)c(-c2cc3cnc(C)cc3n(C)c2=O)c1
InChIInChI=1S/C24H27N5O2/c1-5-9-29-10-8-25-22(29)23(30)27-18-7-6-15(2)19(13-18)20-12-17-14-26-16(3)11-21(17)28(4)24(20)31/h6-7,11-14H,5,8-10H2,1-4H3,(H,27,30)
InChIKeySDPLDOZBFWJBTF-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.28
Rot. Bonds5

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide (PubChem CID 70910893) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide
PubChem CID70910893
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide
SMILESCCCN1CCN=C1C(=O)Nc1ccc(C)c(-c2cc3cnc(C)cc3n(C)c2=O)c1
InChIInChI=1S/C24H27N5O2/c1-5-9-29-10-8-25-22(29)23(30)27-18-7-6-15(2)19(13-18)20-12-17-14-26-16(3)11-21(17)28(4)24(20)31/h6-7,11-14H,5,8-10H2,1-4H3,(H,27,30)
InChIKeySDPLDOZBFWJBTF-UHFFFAOYSA-N
XLogP3.28
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide (CID 70910893) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide is CCCN1CCN=C1C(=O)Nc1ccc(C)c(-c2cc3cnc(C)cc3n(C)c2=O)c1.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide?
The InChIKey is SDPLDOZBFWJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-5-9-29-10-8-25-22(29)23(30)27-18-7-6-15(2)19(13-18)20-12-17-14-26-16(3)11-21(17)28(4)24(20)31/h6-7,11-14H,5,8-10H2,1-4H3,(H,27,30).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide is sourced from PubChem (CID 70910893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).