2-(methylaminomethyl)-N-pyridin-2-ylbutanamide

C11H17N3O — CID 115188762

IUPAC2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
SMILESCCC(CNC)C(=O)Nc1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-9(8-12-2)11(15)14-10-6-4-5-7-13-10/h4-7,9,12H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyOFQVCQQMDQQXHA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.27
Rot. Bonds5

About 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide

2-(methylaminomethyl)-N-pyridin-2-ylbutanamide (PubChem CID 115188762) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
PubChem CID115188762
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
SMILESCCC(CNC)C(=O)Nc1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-9(8-12-2)11(15)14-10-6-4-5-7-13-10/h4-7,9,12H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyOFQVCQQMDQQXHA-UHFFFAOYSA-N
XLogP1.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 946111
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
2-(butan-2-ylamino)-N-pyridin-2-ylacetamide
CID 60852283
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide?
The IUPAC name of 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide (CID 115188762) is 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide is CCC(CNC)C(=O)Nc1ccccn1.
What is the InChIKey of 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide?
The InChIKey is OFQVCQQMDQQXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9(8-12-2)11(15)14-10-6-4-5-7-13-10/h4-7,9,12H,3,8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide?
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide has a molecular weight of 207.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 115188762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).