N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide

C17H21N3O — CID 81485528

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
SMILESNCCc1ccc(CNC(=O)CCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O/c18-11-10-14-4-6-15(7-5-14)13-20-17(21)9-8-16-3-1-2-12-19-16/h1-7,12H,8-11,13,18H2,(H,20,21)
InChIKeyGJDMQGZVSCLRLM-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.83
Rot. Bonds7

About N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide

N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide (PubChem CID 81485528) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
PubChem CID81485528
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
SMILESNCCc1ccc(CNC(=O)CCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O/c18-11-10-14-4-6-15(7-5-14)13-20-17(21)9-8-16-3-1-2-12-19-16/h1-7,12H,8-11,13,18H2,(H,20,21)
InChIKeyGJDMQGZVSCLRLM-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182119
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
N-benzyl-3-phenylpropanamide;methanediolate;2-phenylethanamine;hydrochloride
CID 159891871
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
4-[[4-(2-aminoethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 153379116
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
CID 71993129
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 80722829
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide (CID 81485528) is N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide is NCCc1ccc(CNC(=O)CCc2ccccn2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide?
The InChIKey is GJDMQGZVSCLRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-10-14-4-6-15(7-5-14)13-20-17(21)9-8-16-3-1-2-12-19-16/h1-7,12H,8-11,13,18H2,(H,20,21).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide has a molecular weight of 283.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 81485528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).