N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide

C15H17N3O — CID 62502833

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNCCc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c16-8-7-12-3-5-13(6-4-12)10-18-15(19)14-2-1-9-17-11-14/h1-6,9,11H,7-8,10,16H2,(H,18,19)
InChIKeyBNUUTRHWDJLQTQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.51
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 62502833) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID62502833
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNCCc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c16-8-7-12-3-5-13(6-4-12)10-18-15(19)14-2-1-9-17-11-14/h1-6,9,11H,7-8,10,16H2,(H,18,19)
InChIKeyBNUUTRHWDJLQTQ-UHFFFAOYSA-N
XLogP1.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 62594019
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide (CID 62502833) is N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide is NCCc1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is BNUUTRHWDJLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-8-7-12-3-5-13(6-4-12)10-18-15(19)14-2-1-9-17-11-14/h1-6,9,11H,7-8,10,16H2,(H,18,19).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.51, 5 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]pyridine-3-carboxamide is sourced from PubChem (CID 62502833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).