5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

C16H23N3O3 — CID 109102110

IUPAC5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)7-18-15(20)12-6-13(9-17-8-12)16(21)19-10-14-4-3-5-22-14/h6,8-9,11,14H,3-5,7,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNXBCFSIOEXCHKE-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.38
Rot. Bonds6

About 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109102110) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109102110
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H23N3O3/c1-11(2)7-18-15(20)12-6-13(9-17-8-12)16(21)19-10-14-4-3-5-22-14/h6,8-9,11,14H,3-5,7,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNXBCFSIOEXCHKE-UHFFFAOYSA-N
XLogP1.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
5-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228799
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 93231190
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109102110) is 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cncc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is NXBCFSIOEXCHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)7-18-15(20)12-6-13(9-17-8-12)16(21)19-10-14-4-3-5-22-14/h6,8-9,11,14H,3-5,7,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).