N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide

C20H32N6O2 — CID 176610154

IUPACN-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide
SMILESCC1=C(CC(=O)N[C@@H](C)C2CNC(C#N)NC2C)C(=O)NC2CCNC(C)C12
InChIInChI=1S/C20H32N6O2/c1-10-14(20(28)26-16-5-6-22-13(4)19(10)16)7-18(27)25-12(3)15-9-23-17(8-21)24-11(15)2/h11-13,15-17,19,22-24H,5-7,9H2,1-4H3,(H,25,27)(H,26,28)/t11?,12-,13?,15?,16?,17?,19?/m0/s1
InChIKeyIMCCGFLVMQRPHH-FMGBLGCLSA-N
MW388.52 g/mol
LogP-0.26
Rot. Bonds4

About N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide

N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide (PubChem CID 176610154) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide
PubChem CID176610154
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC NameN-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide
SMILESCC1=C(CC(=O)N[C@@H](C)C2CNC(C#N)NC2C)C(=O)NC2CCNC(C)C12
InChIInChI=1S/C20H32N6O2/c1-10-14(20(28)26-16-5-6-22-13(4)19(10)16)7-18(27)25-12(3)15-9-23-17(8-21)24-11(15)2/h11-13,15-17,19,22-24H,5-7,9H2,1-4H3,(H,25,27)(H,26,28)/t11?,12-,13?,15?,16?,17?,19?/m0/s1
InChIKeyIMCCGFLVMQRPHH-FMGBLGCLSA-N
XLogP-0.26
TPSA118.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 5-0.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide with MolForge

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Related Compounds

2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1R)-1-(4-methoxycyclohexyl)ethyl]acetamide
CID 176610239
N-[(1R)-1-(4-cyano-2-fluorocyclohexyl)ethyl]-2-(5-cyano-6-fluoro-4-methyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-quinolin-3-yl)acetamide
CID 176610147
2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)-N-[(1S)-2-hydroxy-1-(3-methylcyclohexyl)ethyl]acetamide
CID 176610205
N-[(1R)-1-(5-cyanopiperidin-2-yl)ethyl]-2-(4-methyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide
CID 176610112
N-[(1S)-1-(2,4-difluorocyclohexyl)ethyl]-2-[6-fluoro-4-methyl-2-oxo-5-(trifluoromethyl)-4a,5,6,7,8,8a-hexahydro-1H-quinolin-3-yl]acetamide
CID 176610237
2-(4-fluorophenyl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977159
N-(1-pyrrolidin-3-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103977076
N-[(1R)-1-(5-cyanopiperidin-2-yl)ethyl]-2-(7,8-difluoro-3-oxo-4H-quinoxalin-2-yl)acetamide
CID 177350016
2-methyl-N-[1-(2-methylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 106739216
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376608
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376605

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide (CID 176610154) is N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide is CC1=C(CC(=O)N[C@@H](C)C2CNC(C#N)NC2C)C(=O)NC2CCNC(C)C12.
What is the InChIKey of N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide?
The InChIKey is IMCCGFLVMQRPHH-FMGBLGCLSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-10-14(20(28)26-16-5-6-22-13(4)19(10)16)7-18(27)25-12(3)15-9-23-17(8-21)24-11(15)2/h11-13,15-17,19,22-24H,5-7,9H2,1-4H3,(H,25,27)(H,26,28)/t11?,12-,13?,15?,16?,17?,19?/m0/s1.
What are the key properties of N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide?
N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide has a molecular weight of 388.52 g/mol, XLogP of -0.26, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-cyano-4-methyl-1,3-diazinan-5-yl)ethyl]-2-(4,5-dimethyl-2-oxo-4a,5,6,7,8,8a-hexahydro-1H-1,6-naphthyridin-3-yl)acetamide is sourced from PubChem (CID 176610154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).