N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide

C14H15N3O — CID 16782541

IUPACN-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
SMILESCC(N)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H15N3O/c1-10(15)11-4-2-6-13(8-11)17-14(18)12-5-3-7-16-9-12/h2-10H,15H2,1H3,(H,17,18)
InChIKeyWKGDPTLAEYAZPX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.35
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide

N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide (PubChem CID 16782541) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
PubChem CID16782541
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
SMILESCC(N)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H15N3O/c1-10(15)11-4-2-6-13(8-11)17-14(18)12-5-3-7-16-9-12/h2-10H,15H2,1H3,(H,17,18)
InChIKeyWKGDPTLAEYAZPX-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2R)-1-pyrazin-2-ylpropan-2-yl]phenyl]pyridine-3-carboxamide
CID 157173589
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
CID 107702970
N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[3-(1-aminoethyl)phenyl]pyridine-2-carboxamide
CID 16785087
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46411199
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide (CID 16782541) is N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide is CC(N)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is WKGDPTLAEYAZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(15)11-4-2-6-13(8-11)17-14(18)12-5-3-7-16-9-12/h2-10H,15H2,1H3,(H,17,18).
What are the key properties of N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide?
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 16782541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).