methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate

C20H22N6O2 — CID 71212621

IUPACmethyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate
SMILESCOC(=O)NC(c1nc2c(cnc3cccnc32)[nH]1)C1CCC(CC#N)CC1
InChIInChI=1S/C20H22N6O2/c1-28-20(27)26-16(13-6-4-12(5-7-13)8-9-21)19-24-15-11-23-14-3-2-10-22-17(14)18(15)25-19/h2-3,10-13,16H,4-8H2,1H3,(H,24,25)(H,26,27)
InChIKeyRFILVGHOJOYTLY-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.62
Rot. Bonds4

About methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate

methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate (PubChem CID 71212621) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate
PubChem CID71212621
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Namemethyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate
SMILESCOC(=O)NC(c1nc2c(cnc3cccnc32)[nH]1)C1CCC(CC#N)CC1
InChIInChI=1S/C20H22N6O2/c1-28-20(27)26-16(13-6-4-12(5-7-13)8-9-21)19-24-15-11-23-14-3-2-10-22-17(14)18(15)25-19/h2-3,10-13,16H,4-8H2,1H3,(H,24,25)(H,26,27)
InChIKeyRFILVGHOJOYTLY-UHFFFAOYSA-N
XLogP3.62
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate (CID 71212621) is methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate is COC(=O)NC(c1nc2c(cnc3cccnc32)[nH]1)C1CCC(CC#N)CC1.
What is the InChIKey of methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate?
The InChIKey is RFILVGHOJOYTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-20(27)26-16(13-6-4-12(5-7-13)8-9-21)19-24-15-11-23-14-3-2-10-22-17(14)18(15)25-19/h2-3,10-13,16H,4-8H2,1H3,(H,24,25)(H,26,27).
What are the key properties of methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate?
methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate has a molecular weight of 378.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(cyanomethyl)cyclohexyl]-(3H-imidazo[4,5-c][1,5]naphthyridin-2-yl)methyl]carbamate is sourced from PubChem (CID 71212621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).