N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide

C16H19N3O2 — CID 28767903

IUPACN-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(CCCN)C(=O)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-7-5-14(6-8-15)19(11-3-9-17)16(20)13-4-2-10-18-12-13/h2,4-8,10,12H,3,9,11,17H2,1H3
InChIKeyDQIOTQVEZNOUQY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds6

About N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide

N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 28767903) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID28767903
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(CCCN)C(=O)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O2/c1-21-15-7-5-14(6-8-15)19(11-3-9-17)16(20)13-4-2-10-18-12-13/h2,4-8,10,12H,3,9,11,17H2,1H3
InChIKeyDQIOTQVEZNOUQY-UHFFFAOYSA-N
XLogP2.09
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate
CID 20871823
N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 28768964
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
N-[4-(2-aminoethoxy)phenyl]-N-methylpyridine-3-carboxamide
CID 28755886
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
CID 107970800
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
CID 43136229
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 1391706

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 28767903) is N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(N(CCCN)C(=O)c2cccnc2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is DQIOTQVEZNOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-15-7-5-14(6-8-15)19(11-3-9-17)16(20)13-4-2-10-18-12-13/h2,4-8,10,12H,3,9,11,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 28767903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).