4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide

C16H19N3O — CID 133471329

IUPAC4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1cccc(C(C)Nc2ccncc2C(N)=O)c1C
InChIInChI=1S/C16H19N3O/c1-10-5-4-6-13(11(10)2)12(3)19-15-7-8-18-9-14(15)16(17)20/h4-9,12H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyDMNCWRPOQIESRP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.97
Rot. Bonds4

About 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide

4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 133471329) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID133471329
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1cccc(C(C)Nc2ccncc2C(N)=O)c1C
InChIInChI=1S/C16H19N3O/c1-10-5-4-6-13(11(10)2)12(3)19-15-7-8-18-9-14(15)16(17)20/h4-9,12H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyDMNCWRPOQIESRP-UHFFFAOYSA-N
XLogP2.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide (CID 133471329) is 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide is Cc1cccc(C(C)Nc2ccncc2C(N)=O)c1C.
What is the InChIKey of 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is DMNCWRPOQIESRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-5-4-6-13(11(10)2)12(3)19-15-7-8-18-9-14(15)16(17)20/h4-9,12H,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide?
4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dimethylphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133471329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).