2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide

C19H21N3O2S — CID 66844037

IUPAC2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCCC1(Oc2ccc(CNC(=O)c3cccnc3N)cc2)CC=CS1
InChIInChI=1S/C19H21N3O2S/c1-2-19(10-4-12-25-19)24-15-8-6-14(7-9-15)13-22-18(23)16-5-3-11-21-17(16)20/h3-9,11-12H,2,10,13H2,1H3,(H2,20,21)(H,22,23)
InChIKeyUNTJWIOQLAOYEZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.73
Rot. Bonds6

About 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide

2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66844037) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66844037
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCCC1(Oc2ccc(CNC(=O)c3cccnc3N)cc2)CC=CS1
InChIInChI=1S/C19H21N3O2S/c1-2-19(10-4-12-25-19)24-15-8-6-14(7-9-15)13-22-18(23)16-5-3-11-21-17(16)20/h3-9,11-12H,2,10,13H2,1H3,(H2,20,21)(H,22,23)
InChIKeyUNTJWIOQLAOYEZ-UHFFFAOYSA-N
XLogP3.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
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
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
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-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide (CID 66844037) is 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide is CCC1(Oc2ccc(CNC(=O)c3cccnc3N)cc2)CC=CS1.
What is the InChIKey of 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is UNTJWIOQLAOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-19(10-4-12-25-19)24-15-8-6-14(7-9-15)13-22-18(23)16-5-3-11-21-17(16)20/h3-9,11-12H,2,10,13H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of 2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-[(2-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.73, 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-ethyl-3H-thiophen-2-yl)oxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66844037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).