2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide

C20H19N3O2S — CID 66843653

IUPAC2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCSc1ccccc1Oc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C20H19N3O2S/c1-26-18-7-3-2-6-17(18)25-15-10-8-14(9-11-15)13-23-20(24)16-5-4-12-22-19(16)21/h2-12H,13H2,1H3,(H2,21,22)(H,23,24)
InChIKeyDATYRTMDTYDFDT-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.11
Rot. Bonds6

About 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide

2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843653) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843653
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCSc1ccccc1Oc1ccc(CNC(=O)c2cccnc2N)cc1
InChIInChI=1S/C20H19N3O2S/c1-26-18-7-3-2-6-17(18)25-15-10-8-14(9-11-15)13-23-20(24)16-5-4-12-22-19(16)21/h2-12H,13H2,1H3,(H2,21,22)(H,23,24)
InChIKeyDATYRTMDTYDFDT-UHFFFAOYSA-N
XLogP4.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 66843653) is 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide is CSc1ccccc1Oc1ccc(CNC(=O)c2cccnc2N)cc1.
What is the InChIKey of 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is DATYRTMDTYDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-26-18-7-3-2-6-17(18)25-15-10-8-14(9-11-15)13-23-20(24)16-5-4-12-22-19(16)21/h2-12H,13H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).