N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide

C20H28N4O — CID 109185373

IUPACN-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(C(=O)NCCN(C)C)nc1
InChIInChI=1S/C20H28N4O/c1-14(2)17-8-6-7-15(3)19(17)23-16-9-10-18(22-13-16)20(25)21-11-12-24(4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,21,25)
InChIKeyYOSAUQGFXWGCIT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.55
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109185373) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109185373
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(C(=O)NCCN(C)C)nc1
InChIInChI=1S/C20H28N4O/c1-14(2)17-8-6-7-15(3)19(17)23-16-9-10-18(22-13-16)20(25)21-11-12-24(4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,21,25)
InChIKeyYOSAUQGFXWGCIT-UHFFFAOYSA-N
XLogP3.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
N-tert-butyl-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109195082
5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186081
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
4-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109207358
ethyl 4-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195520

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide (CID 109185373) is N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide is Cc1cccc(C(C)C)c1Nc1ccc(C(=O)NCCN(C)C)nc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is YOSAUQGFXWGCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)17-8-6-7-15(3)19(17)23-16-9-10-18(22-13-16)20(25)21-11-12-24(4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109185373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).