1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide

C13H20N4O — CID 113311587

IUPAC1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1(CN)CCC1
InChIInChI=1S/C13H20N4O/c1-17(2)11-10(5-3-8-15-11)16-12(18)13(9-14)6-4-7-13/h3,5,8H,4,6-7,9,14H2,1-2H3,(H,16,18)
InChIKeyMKPDPIIMNOWOEL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds4

About 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide (PubChem CID 113311587) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide
PubChem CID113311587
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1(CN)CCC1
InChIInChI=1S/C13H20N4O/c1-17(2)11-10(5-3-8-15-11)16-12(18)13(9-14)6-4-7-13/h3,5,8H,4,6-7,9,14H2,1-2H3,(H,16,18)
InChIKeyMKPDPIIMNOWOEL-UHFFFAOYSA-N
XLogP1.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide (CID 113311587) is 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide is CN(C)c1ncccc1NC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide?
The InChIKey is MKPDPIIMNOWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(2)11-10(5-3-8-15-11)16-12(18)13(9-14)6-4-7-13/h3,5,8H,4,6-7,9,14H2,1-2H3,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(dimethylamino)-3-pyridinyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 113311587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).