2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

C15H24N4O — CID 119399590

IUPAC2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-12(9-16-2)15(20)18-11-13-5-6-14(17-10-13)19-7-3-4-8-19/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyKNAACWAPTOKGIB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.15
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 119399590) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID119399590
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-12(9-16-2)15(20)18-11-13-5-6-14(17-10-13)19-7-3-4-8-19/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyKNAACWAPTOKGIB-UHFFFAOYSA-N
XLogP1.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55745613
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(2S)-2-cyclopropyl-2-hydroxyethyl]urea
CID 97310846
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (CID 119399590) is 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is CNCC(C)C(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is KNAACWAPTOKGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(9-16-2)15(20)18-11-13-5-6-14(17-10-13)19-7-3-4-8-19/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 119399590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).