(9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide

C21H24N4O2 — CID 11233848

IUPAC(9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
SMILESCc1nc2c3c(c(C(=O)NCCO)cn2c1C)CC[C@@H](c1ccccc1)N3
InChIInChI=1S/C21H24N4O2/c1-13-14(2)25-12-17(21(27)22-10-11-26)16-8-9-18(15-6-4-3-5-7-15)24-19(16)20(25)23-13/h3-7,12,18,24,26H,8-11H2,1-2H3,(H,22,27)/t18-/m0/s1
InChIKeyYLQRBTJJXZAWIL-SFHVURJKSA-N
MW364.45 g/mol
LogP2.77
Rot. Bonds4

About (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide

(9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide (PubChem CID 11233848) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name(9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
PubChem CID11233848
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
SMILESCc1nc2c3c(c(C(=O)NCCO)cn2c1C)CC[C@@H](c1ccccc1)N3
InChIInChI=1S/C21H24N4O2/c1-13-14(2)25-12-17(21(27)22-10-11-26)16-8-9-18(15-6-4-3-5-7-15)24-19(16)20(25)23-13/h3-7,12,18,24,26H,8-11H2,1-2H3,(H,22,27)/t18-/m0/s1
InChIKeyYLQRBTJJXZAWIL-SFHVURJKSA-N
XLogP2.77
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,3-trimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11359568
N,N,2,3-tetramethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11484848
N-(2,3-dihydroxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-carboxamide
CID 12003070
[(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol
CID 129382643
[(9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol
CID 129382644
(12R)-5-(hydroxymethyl)-N,N,4-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23729609
5-(hydroxymethyl)-N,N,4-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730962
[(7R,8R,9R)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] 2-(2-hydroxyethoxy)acetate
CID 91364015
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
(12R)-5-ethyl-N,N,4-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23729611
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743

Frequently Asked Questions

What is the IUPAC name of (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide?
The IUPAC name of (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide (CID 11233848) is (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide.
What is the SMILES notation for (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide?
The canonical SMILES for (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide is Cc1nc2c3c(c(C(=O)NCCO)cn2c1C)CC[C@@H](c1ccccc1)N3.
What is the InChIKey of (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide?
The InChIKey is YLQRBTJJXZAWIL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-14(2)25-12-17(21(27)22-10-11-26)16-8-9-18(15-6-4-3-5-7-15)24-19(16)20(25)23-13/h3-7,12,18,24,26H,8-11H2,1-2H3,(H,22,27)/t18-/m0/s1.
What are the key properties of (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide?
(9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide is sourced from PubChem (CID 11233848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).