2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide

C11H17N3O — CID 81409606

IUPAC2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
SMILESCCC(N[C@@H](C)c1ccncc1)C(N)=O
InChIInChI=1S/C11H17N3O/c1-3-10(11(12)15)14-8(2)9-4-6-13-7-5-9/h4-8,10,14H,3H2,1-2H3,(H2,12,15)/t8-,10?/m0/s1
InChIKeyWBABBPXRXNOBLM-PEHGTWAWSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds5

About 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide

2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide (PubChem CID 81409606) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide.

Molecular Properties

Compound Name2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
PubChem CID81409606
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
SMILESCCC(N[C@@H](C)c1ccncc1)C(N)=O
InChIInChI=1S/C11H17N3O/c1-3-10(11(12)15)14-8(2)9-4-6-13-7-5-9/h4-8,10,14H,3H2,1-2H3,(H2,12,15)/t8-,10?/m0/s1
InChIKeyWBABBPXRXNOBLM-PEHGTWAWSA-N
XLogP1.00
TPSA68.01 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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylethylamino)butanamide
CID 62899453
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate
CID 103258897
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
2-pyridin-4-ylbutanamide
CID 67405148
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide?
The IUPAC name of 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide (CID 81409606) is 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide.
What is the SMILES notation for 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide?
The canonical SMILES for 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide is CCC(N[C@@H](C)c1ccncc1)C(N)=O.
What is the InChIKey of 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide?
The InChIKey is WBABBPXRXNOBLM-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10(11(12)15)14-8(2)9-4-6-13-7-5-9/h4-8,10,14H,3H2,1-2H3,(H2,12,15)/t8-,10?/m0/s1.
What are the key properties of 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide?
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide has a molecular weight of 207.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide is sourced from PubChem (CID 81409606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).