2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide

C16H25N3O2 — CID 83036644

IUPAC2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2ccnc(CN)c2)CCO1
InChIInChI=1S/C16H25N3O2/c1-3-16(4-2)10-13(6-8-21-16)19-15(20)12-5-7-18-14(9-12)11-17/h5,7,9,13H,3-4,6,8,10-11,17H2,1-2H3,(H,19,20)
InChIKeyKGSJAFSEGUNOPY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds5

About 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide (PubChem CID 83036644) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
PubChem CID83036644
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2ccnc(CN)c2)CCO1
InChIInChI=1S/C16H25N3O2/c1-3-16(4-2)10-13(6-8-21-16)19-15(20)12-5-7-18-14(9-12)11-17/h5,7,9,13H,3-4,6,8,10-11,17H2,1-2H3,(H,19,20)
InChIKeyKGSJAFSEGUNOPY-UHFFFAOYSA-N
XLogP2.01
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731
4-amino-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 83040050
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
N-(2,2-diethyloxan-4-yl)-3-hydroxy-4-iodobenzamide
CID 104629914
4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
CID 82765218
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
CID 103868583
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
CID 113277885
4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide
CID 83037271
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 113277733
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide (CID 83036644) is 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide is CCC1(CC)CC(NC(=O)c2ccnc(CN)c2)CCO1.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide?
The InChIKey is KGSJAFSEGUNOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-16(4-2)10-13(6-8-21-16)19-15(20)12-5-7-18-14(9-12)11-17/h5,7,9,13H,3-4,6,8,10-11,17H2,1-2H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 83036644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).