N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide

C19H21FN4O2S — CID 143933559

IUPACN-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide
SMILESC=NC1(CCSCN)CCOc2ccc(NC(=O)c3ccc(F)cn3)cc21
InChIInChI=1S/C19H21FN4O2S/c1-22-19(7-9-27-12-21)6-8-26-17-5-3-14(10-15(17)19)24-18(25)16-4-2-13(20)11-23-16/h2-5,10-11H,1,6-9,12,21H2,(H,24,25)
InChIKeySSRNQTGIXOWMAB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.19
Rot. Bonds7

About N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide

N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 143933559) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide
PubChem CID143933559
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide
SMILESC=NC1(CCSCN)CCOc2ccc(NC(=O)c3ccc(F)cn3)cc21
InChIInChI=1S/C19H21FN4O2S/c1-22-19(7-9-27-12-21)6-8-26-17-5-3-14(10-15(17)19)24-18(25)16-4-2-13(20)11-23-16/h2-5,10-11H,1,6-9,12,21H2,(H,24,25)
InChIKeySSRNQTGIXOWMAB-UHFFFAOYSA-N
XLogP3.19
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581
CID 123368464
CID 123368464
CID 90235599
CID 90235599
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
CID 143933560
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
CID 44626066
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide
CID 166069660
N-[3-(2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 67279489
N-[3-(3-amino-2-methyl-1-oxo-5,6,8,8a-tetrahydropyrano[4,3-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 130394977
N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 86762161
N-[2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
CID 78105035
N-[(4S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
CID 71542524

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide (CID 143933559) is N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide is C=NC1(CCSCN)CCOc2ccc(NC(=O)c3ccc(F)cn3)cc21.
What is the InChIKey of N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is SSRNQTGIXOWMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-22-19(7-9-27-12-21)6-8-26-17-5-3-14(10-15(17)19)24-18(25)16-4-2-13(20)11-23-16/h2-5,10-11H,1,6-9,12,21H2,(H,24,25).
What are the key properties of N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide?
N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(aminomethylsulfanyl)ethyl]-4-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 143933559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).