N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide

C15H17N3O — CID 28768964

IUPACN-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(N(CCN)C(=O)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-12-4-6-14(7-5-12)18(10-8-16)15(19)13-3-2-9-17-11-13/h2-7,9,11H,8,10,16H2,1H3
InChIKeyGYRHCJZVVWJWKU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.00
Rot. Bonds4

About N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide

N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 28768964) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID28768964
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(N(CCN)C(=O)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-12-4-6-14(7-5-12)18(10-8-16)15(19)13-3-2-9-17-11-13/h2-7,9,11H,8,10,16H2,1H3
InChIKeyGYRHCJZVVWJWKU-UHFFFAOYSA-N
XLogP2.00
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 28767903
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413645
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide
CID 18171869
ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate
CID 20871823
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 3792092
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-[4-(2-aminoethoxy)phenyl]-N-methylpyridine-3-carboxamide
CID 28755886

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide (CID 28768964) is N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(N(CCN)C(=O)c2cccnc2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is GYRHCJZVVWJWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-4-6-14(7-5-12)18(10-8-16)15(19)13-3-2-9-17-11-13/h2-7,9,11H,8,10,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide?
N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 28768964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).