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

C15H23N3O — CID 46598711

IUPAC2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H23N3O/c1-3-12(2)15(19)17-11-13-6-7-14(16-10-13)18-8-4-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyPSVLJSINVGMZCH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.34
Rot. Bonds5

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

2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 46598711) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
PubChem CID46598711
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H23N3O/c1-3-12(2)15(19)17-11-13-6-7-14(16-10-13)18-8-4-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyPSVLJSINVGMZCH-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119399590
(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
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55745613
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
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
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide (CID 46598711) is 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide is CCC(C)C(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is PSVLJSINVGMZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-12(2)15(19)17-11-13-6-7-14(16-10-13)18-8-4-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 261.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 46598711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).