4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C15H17N3O — CID 81240748

IUPAC4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnccc2N)cc1
InChIInChI=1S/C15H17N3O/c1-10-3-5-12(6-4-10)11(2)18-15(19)13-9-17-8-7-14(13)16/h3-9,11H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyOXWNMONKGODYFU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.46
Rot. Bonds3

About 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 81240748) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID81240748
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnccc2N)cc1
InChIInChI=1S/C15H17N3O/c1-10-3-5-12(6-4-10)11(2)18-15(19)13-9-17-8-7-14(13)16/h3-9,11H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyOXWNMONKGODYFU-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 81243304
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071856
4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 114131524
4-(methylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 81236792
5-bromo-2-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62248977
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 81240748) is 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cnccc2N)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is OXWNMONKGODYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-3-5-12(6-4-10)11(2)18-15(19)13-9-17-8-7-14(13)16/h3-9,11H,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81240748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).