cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide

C21H26N4OS — CID 171555568

IUPACcyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide
SMILESC1CC1.CSCCC1C=C(C)C(c2cc3cnc(NC=O)cc3cn2)=CN1
InChIInChI=1S/C18H20N4OS.C3H6/c1-12-5-15(3-4-24-2)19-10-16(12)17-6-13-9-21-18(22-11-23)7-14(13)8-20-17;1-2-3-1/h5-11,15,19H,3-4H2,1-2H3,(H,21,22,23);1-3H2
InChIKeyWSJFNINRHNDLKN-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.38
Rot. Bonds6

About cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide

cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide (PubChem CID 171555568) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide.

Molecular Properties

Compound Namecyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide
PubChem CID171555568
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Namecyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide
SMILESC1CC1.CSCCC1C=C(C)C(c2cc3cnc(NC=O)cc3cn2)=CN1
InChIInChI=1S/C18H20N4OS.C3H6/c1-12-5-15(3-4-24-2)19-10-16(12)17-6-13-9-21-18(22-11-23)7-14(13)8-20-17;1-2-3-1/h5-11,15,19H,3-4H2,1-2H3,(H,21,22,23);1-3H2
InChIKeyWSJFNINRHNDLKN-UHFFFAOYSA-N
XLogP4.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-7-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-2,6-naphthyridin-3-amine
CID 171555181
N-(6-bromo-7-methylisoquinolin-3-yl)formamide
CID 163277837
cyclopropane;N-[7-[(2E,4Z,6Z)-6-(1-hydroxy-2-methylsulfanylethyl)-4-methylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]formamide
CID 171556174
8-[(E)-2-ethoxyethenyl]-3-(4-methyl-2-propyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridin-7-amine
CID 171555281
N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane
CID 170968349
N-[2-(1-ethylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]formamide
CID 178055563
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
N-[8-amino-6-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447705
N-(4-bromo-5-methyl-2-pyridinyl)formamide
CID 144727601
N-[7-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-5-methyl-2,6-naphthyridin-3-yl]acetamide
CID 171555093
1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one
CID 171555879
N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555714

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide?
The IUPAC name of cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide (CID 171555568) is cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide.
What is the SMILES notation for cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide?
The canonical SMILES for cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide is C1CC1.CSCCC1C=C(C)C(c2cc3cnc(NC=O)cc3cn2)=CN1.
What is the InChIKey of cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide?
The InChIKey is WSJFNINRHNDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS.C3H6/c1-12-5-15(3-4-24-2)19-10-16(12)17-6-13-9-21-18(22-11-23)7-14(13)8-20-17;1-2-3-1/h5-11,15,19H,3-4H2,1-2H3,(H,21,22,23);1-3H2.
What are the key properties of cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide?
cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide has a molecular weight of 382.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-[7-[4-methyl-2-(2-methylsulfanylethyl)-1,2-dihydropyridin-5-yl]-2,6-naphthyridin-3-yl]formamide is sourced from PubChem (CID 171555568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).