N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

C16H23N3O3 — CID 109153510

IUPACN-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C16H23N3O3/c20-16(19-11-14-4-2-8-22-14)12-5-6-15(17-9-12)18-10-13-3-1-7-21-13/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,17,18)(H,19,20)
InChIKeyUNXAOKSJLLUNLG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.58
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109153510) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109153510
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C16H23N3O3/c20-16(19-11-14-4-2-8-22-14)12-5-6-15(17-9-12)18-10-13-3-1-7-21-13/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,17,18)(H,19,20)
InChIKeyUNXAOKSJLLUNLG-UHFFFAOYSA-N
XLogP1.58
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N,N-dimethyl-6-(oxan-2-ylmethylamino)pyridine-3-carboxamide
CID 78956243
6-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153660
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109153576
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149661
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (CID 109153510) is N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(NCC2CCCO2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is UNXAOKSJLLUNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-16(19-11-14-4-2-8-22-14)12-5-6-15(17-9-12)18-10-13-3-1-7-21-13/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,17,18)(H,19,20).
What are the key properties of N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).