2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide

C16H17F2N3O2 — CID 162566177

IUPAC2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCCC(F)(F)Oc1cccc(CNC(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C16H17F2N3O2/c1-2-16(17,18)23-13-5-3-4-11(8-13)10-21-15(22)12-6-7-20-14(19)9-12/h3-9H,2,10H2,1H3,(H2,19,20)(H,21,22)
InChIKeyIBSDPGXEGYGAOF-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.98
Rot. Bonds6

About 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide

2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 162566177) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide
PubChem CID162566177
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCCC(F)(F)Oc1cccc(CNC(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C16H17F2N3O2/c1-2-16(17,18)23-13-5-3-4-11(8-13)10-21-15(22)12-6-7-20-14(19)9-12/h3-9H,2,10H2,1H3,(H2,19,20)(H,21,22)
InChIKeyIBSDPGXEGYGAOF-UHFFFAOYSA-N
XLogP2.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
3-(ethylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55714526
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide (CID 162566177) is 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide is CCC(F)(F)Oc1cccc(CNC(=O)c2ccnc(N)c2)c1.
What is the InChIKey of 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is IBSDPGXEGYGAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-2-16(17,18)23-13-5-3-4-11(8-13)10-21-15(22)12-6-7-20-14(19)9-12/h3-9H,2,10H2,1H3,(H2,19,20)(H,21,22).
What are the key properties of 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide?
2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 162566177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).