N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide

C18H30N4O — CID 51105924

IUPACN-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
SMILESCCN1CCCC1CN(CCN(C)C)C(=O)c1ccc(C)nc1
InChIInChI=1S/C18H30N4O/c1-5-21-10-6-7-17(21)14-22(12-11-20(3)4)18(23)16-9-8-15(2)19-13-16/h8-9,13,17H,5-7,10-12,14H2,1-4H3
InChIKeyXODOUNXKYWLQRN-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 51105924) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID51105924
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
SMILESCCN1CCCC1CN(CCN(C)C)C(=O)c1ccc(C)nc1
InChIInChI=1S/C18H30N4O/c1-5-21-10-6-7-17(21)14-22(12-11-20(3)4)18(23)16-9-8-15(2)19-13-16/h8-9,13,17H,5-7,10-12,14H2,1-4H3
InChIKeyXODOUNXKYWLQRN-UHFFFAOYSA-N
XLogP1.88
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 94820244
1-[2-(dimethylamino)ethyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 102558441
1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 86877251
1-butan-2-yl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86877253
1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 94802947
ethyl 3-[(2-chloropyridine-4-carbonyl)-[(1-ethylpyrrolidin-2-yl)methyl]amino]propanoate
CID 60607073
4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide
CID 86777814
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 94078074
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 138999191
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide (CID 51105924) is N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide is CCN1CCCC1CN(CCN(C)C)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is XODOUNXKYWLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-21-10-6-7-17(21)14-22(12-11-20(3)4)18(23)16-9-8-15(2)19-13-16/h8-9,13,17H,5-7,10-12,14H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 51105924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).