4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid

C20H24N2O4 — CID 119180775

IUPAC4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)26-17-8-6-15(7-9-17)5-4-14(3)22-19(23)16-10-11-21-18(12-16)20(24)25/h6-14H,4-5H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyQREJZHAKMPJVGL-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.32
Rot. Bonds8

About 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid

4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119180775) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119180775
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)26-17-8-6-15(7-9-17)5-4-14(3)22-19(23)16-10-11-21-18(12-16)20(24)25/h6-14H,4-5H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyQREJZHAKMPJVGL-UHFFFAOYSA-N
XLogP3.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
4-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730415
5-(furan-2-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 55990483
2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 97223647
N-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127
2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 120622071
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 139899503
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
2-N-(2-methoxyethyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109082428
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide
CID 55959074

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid (CID 119180775) is 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid is CC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is QREJZHAKMPJVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)26-17-8-6-15(7-9-17)5-4-14(3)22-19(23)16-10-11-21-18(12-16)20(24)25/h6-14H,4-5H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).