(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide

C14H21N3O — CID 94809238

IUPAC(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C14H21N3O/c1-3-11(2)14(18)16-13-7-6-12(10-15-13)17-8-4-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16,18)/t11-/m1/s1
InChIKeyPKKREJRESFEXFB-LLVKDONJSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds4

About (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide

(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide (PubChem CID 94809238) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
PubChem CID94809238
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C14H21N3O/c1-3-11(2)14(18)16-13-7-6-12(10-15-13)17-8-4-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16,18)/t11-/m1/s1
InChIKeyPKKREJRESFEXFB-LLVKDONJSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
(2S)-2-amino-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)pentanamide
CID 119855700
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
2-benzylsulfanyl-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
CID 60516460
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide
CID 78901120
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113031077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The IUPAC name of (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide (CID 94809238) is (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide.
What is the SMILES notation for (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The canonical SMILES for (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide is CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cn1.
What is the InChIKey of (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
The InChIKey is PKKREJRESFEXFB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11(2)14(18)16-13-7-6-12(10-15-13)17-8-4-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16,18)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide?
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide has a molecular weight of 247.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide is sourced from PubChem (CID 94809238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).