4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide

C15H24N4O — CID 60855023

IUPAC4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCN1CCC(CNc2ccnc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C15H24N4O/c1-4-19-8-6-12(11-19)10-17-13-5-7-16-14(9-13)15(20)18(2)3/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,16,17)
InChIKeyRUVMMOHBCODHTM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.54
Rot. Bonds5

About 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide

4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 60855023) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID60855023
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCN1CCC(CNc2ccnc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C15H24N4O/c1-4-19-8-6-12(11-19)10-17-13-5-7-16-14(9-13)15(20)18(2)3/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,16,17)
InChIKeyRUVMMOHBCODHTM-UHFFFAOYSA-N
XLogP1.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62237077
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 81040809
methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
CID 71926633
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzoic acid
CID 60989732
N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide
CID 60703987
4-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 115620851
N,N-dimethyl-4-(2-piperazin-1-ylethylamino)pyridine-2-carboxamide
CID 43600424
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
CID 61306295
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825
N,N-dimethyl-4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carboxamide
CID 62992312

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide (CID 60855023) is 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide is CCN1CCC(CNc2ccnc(C(=O)N(C)C)c2)C1.
What is the InChIKey of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is RUVMMOHBCODHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-19-8-6-12(11-19)10-17-13-5-7-16-14(9-13)15(20)18(2)3/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,16,17).
What are the key properties of 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 60855023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).