N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide

C16H19N3O — CID 120885554

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C16H19N3O/c17-9-12-19(11-8-14-5-2-1-3-6-14)16(20)15-7-4-10-18-13-15/h1-7,10,13H,8-9,11-12,17H2
InChIKeyQMUAPRWEPLRCGH-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.73
Rot. Bonds6

About N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide

N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 120885554) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID120885554
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C16H19N3O/c17-9-12-19(11-8-14-5-2-1-3-6-14)16(20)15-7-4-10-18-13-15/h1-7,10,13H,8-9,11-12,17H2
InChIKeyQMUAPRWEPLRCGH-UHFFFAOYSA-N
XLogP1.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120886353
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120886727
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 174613467
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 120885554) is N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide is NCCN(CCc1ccccc1)C(=O)c1cccnc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is QMUAPRWEPLRCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-9-12-19(11-8-14-5-2-1-3-6-14)16(20)15-7-4-10-18-13-15/h1-7,10,13H,8-9,11-12,17H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide?
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 120885554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).