6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide

C14H23N5O — CID 134127828

IUPAC6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC1NNC(C)C1CCN(C)C(=O)c1cccc(N)n1
InChIInChI=1S/C14H23N5O/c1-9-11(10(2)18-17-9)7-8-19(3)14(20)12-5-4-6-13(15)16-12/h4-6,9-11,17-18H,7-8H2,1-3H3,(H2,15,16)
InChIKeyDDYZKUUCLSEJKQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.63
Rot. Bonds4

About 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide

6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 134127828) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID134127828
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC1NNC(C)C1CCN(C)C(=O)c1cccc(N)n1
InChIInChI=1S/C14H23N5O/c1-9-11(10(2)18-17-9)7-8-19(3)14(20)12-5-4-6-13(15)16-12/h4-6,9-11,17-18H,7-8H2,1-3H3,(H2,15,16)
InChIKeyDDYZKUUCLSEJKQ-UHFFFAOYSA-N
XLogP0.63
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide (CID 134127828) is 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide is CC1NNC(C)C1CCN(C)C(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is DDYZKUUCLSEJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9-11(10(2)18-17-9)7-8-19(3)14(20)12-5-4-6-13(15)16-12/h4-6,9-11,17-18H,7-8H2,1-3H3,(H2,15,16).
What are the key properties of 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide?
6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 134127828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).