4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide

C11H17N5O — CID 107355690

IUPAC4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESNCc1ccc(N2CCN(C(N)=O)CC2)nc1
InChIInChI=1S/C11H17N5O/c12-7-9-1-2-10(14-8-9)15-3-5-16(6-4-15)11(13)17/h1-2,8H,3-7,12H2,(H2,13,17)
InChIKeyZWNNNJSSTUQFCJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.26
Rot. Bonds2

About 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide

4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 107355690) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID107355690
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESNCc1ccc(N2CCN(C(N)=O)CC2)nc1
InChIInChI=1S/C11H17N5O/c12-7-9-1-2-10(14-8-9)15-3-5-16(6-4-15)11(13)17/h1-2,8H,3-7,12H2,(H2,13,17)
InChIKeyZWNNNJSSTUQFCJ-UHFFFAOYSA-N
XLogP-0.26
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 107355689
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
CID 107355800

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 107355690) is 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide is NCc1ccc(N2CCN(C(N)=O)CC2)nc1.
What is the InChIKey of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is ZWNNNJSSTUQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-7-9-1-2-10(14-8-9)15-3-5-16(6-4-15)11(13)17/h1-2,8H,3-7,12H2,(H2,13,17).
What are the key properties of 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide?
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 107355690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).