N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide

C20H33N3O2 — CID 135291623

IUPACN-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ncc(CC(C)(C)C)cc1C(=O)C(C)(C)C
InChIInChI=1S/C20H33N3O2/c1-19(2,3)12-14-11-15(17(24)20(4,5)6)16(22-13-14)18(25)21-9-10-23(7)8/h11,13H,9-10,12H2,1-8H3,(H,21,25)
InChIKeyMKXUIYIMSGGVGI-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide (PubChem CID 135291623) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide
PubChem CID135291623
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1ncc(CC(C)(C)C)cc1C(=O)C(C)(C)C
InChIInChI=1S/C20H33N3O2/c1-19(2,3)12-14-11-15(17(24)20(4,5)6)16(22-13-14)18(25)21-9-10-23(7)8/h11,13H,9-10,12H2,1-8H3,(H,21,25)
InChIKeyMKXUIYIMSGGVGI-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 110702158
N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
CID 172648729
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-[2-(dimethylamino)ethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110849548
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110763107
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide (CID 135291623) is N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide is CN(C)CCNC(=O)c1ncc(CC(C)(C)C)cc1C(=O)C(C)(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The InChIKey is MKXUIYIMSGGVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-19(2,3)12-14-11-15(17(24)20(4,5)6)16(22-13-14)18(25)21-9-10-23(7)8/h11,13H,9-10,12H2,1-8H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropanoyl)-5-(2,2-dimethylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 135291623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).