2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide

C14H22N4O — CID 65224657

IUPAC2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-11(9-15)14(19)17-12-5-6-13(16-10-12)18-7-3-4-8-18/h5-6,10-11H,2-4,7-9,15H2,1H3,(H,17,19)
InChIKeyHFJCIAPFCDTUKV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.61
Rot. Bonds5

About 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide

2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide (PubChem CID 65224657) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
PubChem CID65224657
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-11(9-15)14(19)17-12-5-6-13(16-10-12)18-7-3-4-8-18/h5-6,10-11H,2-4,7-9,15H2,1H3,(H,17,19)
InChIKeyHFJCIAPFCDTUKV-UHFFFAOYSA-N
XLogP1.61
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 65224805
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
4-amino-2-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 80543440
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-2-ethylbutanamide
CID 11638768
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
(2R)-2-amino-3,3-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 103928716
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide (CID 65224657) is 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide is CCC(CN)C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The InChIKey is HFJCIAPFCDTUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-11(9-15)14(19)17-12-5-6-13(16-10-12)18-7-3-4-8-18/h5-6,10-11H,2-4,7-9,15H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide has a molecular weight of 262.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 65224657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).