6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide

C14H20N4O2 — CID 56817220

IUPAC6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCCCNC2=O)cn1
InChIInChI=1S/C14H20N4O2/c1-18(2)12-7-6-10(9-16-12)13(19)17-11-5-3-4-8-15-14(11)20/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyCVLXRTOXPGMUIP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.55
Rot. Bonds3

About 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide

6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide (PubChem CID 56817220) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
PubChem CID56817220
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCCCNC2=O)cn1
InChIInChI=1S/C14H20N4O2/c1-18(2)12-7-6-10(9-16-12)13(19)17-11-5-3-4-8-15-14(11)20/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,20)(H,17,19)
InChIKeyCVLXRTOXPGMUIP-UHFFFAOYSA-N
XLogP0.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97198109
4-[6-(dimethylamino)pyrimidin-4-yl]-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 126439136
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
6-(3-bromophenoxy)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55814280
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 94491732

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide (CID 56817220) is 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NC2CCCCNC2=O)cn1.
What is the InChIKey of 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide?
The InChIKey is CVLXRTOXPGMUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(2)12-7-6-10(9-16-12)13(19)17-11-5-3-4-8-15-14(11)20/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,20)(H,17,19).
What are the key properties of 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide?
6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 56817220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).