5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide

C13H20N4O — CID 63622974

IUPAC5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ncc(N)cc2C(N)=O)CC1
InChIInChI=1S/C13H20N4O/c1-9-3-2-5-17(6-4-9)13-11(12(15)18)7-10(14)8-16-13/h7-9H,2-6,14H2,1H3,(H2,15,18)
InChIKeyNTJOYZGHTGPAJK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.39
Rot. Bonds2

About 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide

5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide (PubChem CID 63622974) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide
PubChem CID63622974
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide
SMILESCC1CCCN(c2ncc(N)cc2C(N)=O)CC1
InChIInChI=1S/C13H20N4O/c1-9-3-2-5-17(6-4-9)13-11(12(15)18)7-10(14)8-16-13/h7-9H,2-6,14H2,1H3,(H2,15,18)
InChIKeyNTJOYZGHTGPAJK-UHFFFAOYSA-N
XLogP1.39
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53213920
5-amino-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 106835267
5-amino-2-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxamide
CID 62370258
5-amino-2-(4-ethoxypiperidin-1-yl)pyridine-3-carboxamide
CID 61360162
5-amino-2-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 63160780
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
5-amino-2-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 55215791
5-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
CID 66393828
5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
CID 107192335
1-(3,5-diamino-2-pyridinyl)piperidine-4-carboxamide
CID 21082843
methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 114082431
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 62475541

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide (CID 63622974) is 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide is CC1CCCN(c2ncc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is NTJOYZGHTGPAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-3-2-5-17(6-4-9)13-11(12(15)18)7-10(14)8-16-13/h7-9H,2-6,14H2,1H3,(H2,15,18).
What are the key properties of 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide?
5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63622974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).