N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide

C16H17N3O2 — CID 108926394

IUPACN-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCCC(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H17N3O2/c1-2-15(20)19-14-7-3-5-12(9-14)10-18-16(21)13-6-4-8-17-11-13/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDNEIGVCUMREYIM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.36
Rot. Bonds5

About N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide

N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926394) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926394
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCCC(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H17N3O2/c1-2-15(20)19-14-7-3-5-12(9-14)10-18-16(21)13-6-4-8-17-11-13/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDNEIGVCUMREYIM-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926559
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[3-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926328
N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458

Frequently Asked Questions

What is the IUPAC name of N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide (CID 108926394) is N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide is CCC(=O)Nc1cccc(CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is DNEIGVCUMREYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-15(20)19-14-7-3-5-12(9-14)10-18-16(21)13-6-4-8-17-11-13/h3-9,11H,2,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide?
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).