2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide

C14H23N5O — CID 107355767

IUPAC2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C14H23N5O/c1-11(14(20)16-2)18-5-7-19(8-6-18)13-4-3-12(9-15)10-17-13/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,20)
InChIKeyWTYGFLVIZGYPND-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.20
Rot. Bonds4

About 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide

2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide (PubChem CID 107355767) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
PubChem CID107355767
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C14H23N5O/c1-11(14(20)16-2)18-5-7-19(8-6-18)13-4-3-12(9-15)10-17-13/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,20)
InChIKeyWTYGFLVIZGYPND-UHFFFAOYSA-N
XLogP-0.20
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
CID 107355800
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide
CID 55682733
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide (CID 107355767) is 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide?
The InChIKey is WTYGFLVIZGYPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(14(20)16-2)18-5-7-19(8-6-18)13-4-3-12(9-15)10-17-13/h3-4,10-11H,5-9,15H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide?
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide has a molecular weight of 277.37 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 107355767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).