N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide

C16H19N3O2 — CID 81237935

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-17-15-8-9-18-10-14(15)16(20)19(2)11-12-4-6-13(21-3)7-5-12/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyOUHCDHBURHYXHG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.40
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81237935) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81237935
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-17-15-8-9-18-10-14(15)16(20)19(2)11-12-4-6-13(21-3)7-5-12/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyOUHCDHBURHYXHG-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81238819
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242683
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
N-methyl-4-(methylamino)-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81236054
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81237935) is N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is OUHCDHBURHYXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-15-8-9-18-10-14(15)16(20)19(2)11-12-4-6-13(21-3)7-5-12/h4-10H,11H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81237935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).