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

C13H21N5O — CID 107355704

IUPAC4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-2-15-13(19)18-7-5-17(6-8-18)12-4-3-11(9-14)10-16-12/h3-4,10H,2,5-9,14H2,1H3,(H,15,19)
InChIKeyPZPUFNLKQWDBOZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.39
Rot. Bonds3

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

4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 107355704) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
PubChem CID107355704
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C13H21N5O/c1-2-15-13(19)18-7-5-17(6-8-18)12-4-3-11(9-14)10-16-12/h3-4,10H,2,5-9,14H2,1H3,(H,15,19)
InChIKeyPZPUFNLKQWDBOZ-UHFFFAOYSA-N
XLogP0.39
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
CID 107355800
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 69364575
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide (CID 107355704) is 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is PZPUFNLKQWDBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-15-13(19)18-7-5-17(6-8-18)12-4-3-11(9-14)10-16-12/h3-4,10H,2,5-9,14H2,1H3,(H,15,19).
What are the key properties of 4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide?
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.39, 3 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]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 107355704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).