2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide

C19H23BrN2O2 — CID 97223647

IUPAC2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C19H23BrN2O2/c1-13(2)24-16-10-8-15(9-11-16)7-6-14(3)22-19(23)17-5-4-12-21-18(17)20/h4-5,8-14H,6-7H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyDEBRETBINBBODB-AWEZNQCLSA-N
MW391.31 g/mol
LogP4.38
Rot. Bonds7

About 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide

2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide (PubChem CID 97223647) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
PubChem CID97223647
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C19H23BrN2O2/c1-13(2)24-16-10-8-15(9-11-16)7-6-14(3)22-19(23)17-5-4-12-21-18(17)20/h4-5,8-14H,6-7H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyDEBRETBINBBODB-AWEZNQCLSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 60533563
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
2-bromo-N-(2-methyl-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103754715
4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119180775
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55892354
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide
CID 94797701
2-(methylamino)-5-nitro-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55890952
5-(furan-2-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 55990483

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide (CID 97223647) is 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide?
The InChIKey is DEBRETBINBBODB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-13(2)24-16-10-8-15(9-11-16)7-6-14(3)22-19(23)17-5-4-12-21-18(17)20/h4-5,8-14H,6-7H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide?
2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97223647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).