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

C19H27N3O3 — CID 109103928

IUPAC5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H27N3O3/c23-18(21-13-17-8-5-9-25-17)14-10-15(12-20-11-14)19(24)22-16-6-3-1-2-4-7-16/h10-12,16-17H,1-9,13H2,(H,21,23)(H,22,24)
InChIKeyALWNBKRAJCBNBF-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.44
Rot. Bonds5

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

5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103928) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109103928
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H27N3O3/c23-18(21-13-17-8-5-9-25-17)14-10-15(12-20-11-14)19(24)22-16-6-3-1-2-4-7-16/h10-12,16-17H,1-9,13H2,(H,21,23)(H,22,24)
InChIKeyALWNBKRAJCBNBF-UHFFFAOYSA-N
XLogP2.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
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-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 93231190
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017

Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109103928) is 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCC1CCCO1)c1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is ALWNBKRAJCBNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(21-13-17-8-5-9-25-17)14-10-15(12-20-11-14)19(24)22-16-6-3-1-2-4-7-16/h10-12,16-17H,1-9,13H2,(H,21,23)(H,22,24).
What are the key properties of 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).