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

C22H23N3O3 — CID 66843847

IUPAC2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCCCOc1cccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-2-13-27-18-5-3-6-19(14-18)28-17-10-8-16(9-11-17)15-25-22(26)20-7-4-12-24-21(20)23/h3-12,14H,2,13,15H2,1H3,(H2,23,24)(H,25,26)
InChIKeyYSLMESNQDIPOFT-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.17
Rot. Bonds8

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

2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843847) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843847
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCCCOc1cccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-2-13-27-18-5-3-6-19(14-18)28-17-10-8-16(9-11-17)15-25-22(26)20-7-4-12-24-21(20)23/h3-12,14H,2,13,15H2,1H3,(H2,23,24)(H,25,26)
InChIKeyYSLMESNQDIPOFT-UHFFFAOYSA-N
XLogP4.17
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[(3-hept-3-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843557
2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
2-amino-N-[(3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66844655
2-amino-N-[[3-[(E)-hex-3-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844654
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 66843847) is 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide is CCCOc1cccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)c1.
What is the InChIKey of 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YSLMESNQDIPOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-13-27-18-5-3-6-19(14-18)28-17-10-8-16(9-11-17)15-25-22(26)20-7-4-12-24-21(20)23/h3-12,14H,2,13,15H2,1H3,(H2,23,24)(H,25,26).
What are the key properties of 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).