2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide

C15H17N3O — CID 62315021

IUPAC2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1cccc(CCNc2ncccc2C(N)=O)c1
InChIInChI=1S/C15H17N3O/c1-11-4-2-5-12(10-11)7-9-18-15-13(14(16)19)6-3-8-17-15/h2-6,8,10H,7,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQZBFHBCWBDZWHR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide

2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 62315021) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID62315021
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1cccc(CCNc2ncccc2C(N)=O)c1
InChIInChI=1S/C15H17N3O/c1-11-4-2-5-12(10-11)7-9-18-15-13(14(16)19)6-3-8-17-15/h2-6,8,10H,7,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQZBFHBCWBDZWHR-UHFFFAOYSA-N
XLogP2.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944427
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
CID 115545852
N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 62315023
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357
[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998213
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314848

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide (CID 62315021) is 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide is Cc1cccc(CCNc2ncccc2C(N)=O)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is QZBFHBCWBDZWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-4-2-5-12(10-11)7-9-18-15-13(14(16)19)6-3-8-17-15/h2-6,8,10H,7,9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide?
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 62315021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).