6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid

C17H24N2O4 — CID 119186019

IUPAC6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)14-11(6-5-9-23-14)10-18-15(20)12-7-4-8-13(19-12)16(21)22/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyWZZXMNFOJLMSFP-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.35
Rot. Bonds4

About 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid

6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119186019) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119186019
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)C1OCCCC1CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)14-11(6-5-9-23-14)10-18-15(20)12-7-4-8-13(19-12)16(21)22/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyWZZXMNFOJLMSFP-UHFFFAOYSA-N
XLogP2.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
CID 119951819
N-[(2-tert-butyloxan-3-yl)methyl]-4-[(carbamoylamino)methyl]benzamide
CID 119135959
N-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86971606
6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096136
1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111428448
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113479299
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 129001929

Frequently Asked Questions

What is the IUPAC name of 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 119186019) is 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid is CC(C)(C)C1OCCCC1CNC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WZZXMNFOJLMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)14-11(6-5-9-23-14)10-18-15(20)12-7-4-8-13(19-12)16(21)22/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).