4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide

C17H22N4O — CID 133468935

IUPAC4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide
SMILESCc1ccc(C(CNc2ccncc2C(N)=O)N(C)C)cc1
InChIInChI=1S/C17H22N4O/c1-12-4-6-13(7-5-12)16(21(2)3)11-20-15-8-9-19-10-14(15)17(18)22/h4-10,16H,11H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyNINOHZCZLQUOIR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.20
Rot. Bonds6

About 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide

4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide (PubChem CID 133468935) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide
PubChem CID133468935
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide
SMILESCc1ccc(C(CNc2ccncc2C(N)=O)N(C)C)cc1
InChIInChI=1S/C17H22N4O/c1-12-4-6-13(7-5-12)16(21(2)3)11-20-15-8-9-19-10-14(15)17(18)22/h4-10,16H,11H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyNINOHZCZLQUOIR-UHFFFAOYSA-N
XLogP2.20
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133477197
4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
4-(ethylamino)-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 81242334
4-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxamide
CID 133443364
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
4-[(3-methyl-1-benzofuran-2-yl)methylamino]pyridine-3-carboxamide
CID 133471261
4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide
CID 133469940
6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
CID 133299226

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide (CID 133468935) is 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide is Cc1ccc(C(CNc2ccncc2C(N)=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
The InChIKey is NINOHZCZLQUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-4-6-13(7-5-12)16(21(2)3)11-20-15-8-9-19-10-14(15)17(18)22/h4-10,16H,11H2,1-3H3,(H2,18,22)(H,19,20).
What are the key properties of 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133468935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).