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

C26H29N5O2 — CID 71084109

IUPAC1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)C3=NCCN3C3CCCC3)ccc1C)c(=O)n2C
InChIInChI=1S/C26H29N5O2/c1-16-8-9-19(29-25(32)24-27-10-11-31(24)20-6-4-5-7-20)14-21(16)22-13-18-15-28-17(2)12-23(18)30(3)26(22)33/h8-9,12-15,20H,4-7,10-11H2,1-3H3,(H,29,32)
InChIKeyANOURUVMTNQNDR-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.81
Rot. Bonds4

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

1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide (PubChem CID 71084109) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide
PubChem CID71084109
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)C3=NCCN3C3CCCC3)ccc1C)c(=O)n2C
InChIInChI=1S/C26H29N5O2/c1-16-8-9-19(29-25(32)24-27-10-11-31(24)20-6-4-5-7-20)14-21(16)22-13-18-15-28-17(2)12-23(18)30(3)26(22)33/h8-9,12-15,20H,4-7,10-11H2,1-3H3,(H,29,32)
InChIKeyANOURUVMTNQNDR-UHFFFAOYSA-N
XLogP3.81
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide (CID 71084109) is 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)C3=NCCN3C3CCCC3)ccc1C)c(=O)n2C.
What is the InChIKey of 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide?
The InChIKey is ANOURUVMTNQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16-8-9-19(29-25(32)24-27-10-11-31(24)20-6-4-5-7-20)14-21(16)22-13-18-15-28-17(2)12-23(18)30(3)26(22)33/h8-9,12-15,20H,4-7,10-11H2,1-3H3,(H,29,32).
What are the key properties of 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide?
1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide is sourced from PubChem (CID 71084109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).