N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide

C22H29N3O2 — CID 87003054

IUPACN-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)N1CCCCCC1c1ccncc1
InChIInChI=1S/C22H29N3O2/c1-17(6-7-18-8-10-20(26)11-9-18)24-22(27)25-16-4-2-3-5-21(25)19-12-14-23-15-13-19/h8-15,17,21,26H,2-7,16H2,1H3,(H,24,27)
InChIKeyOUQFIBABVZMUHX-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.44
Rot. Bonds5

About N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide

N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 87003054) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID87003054
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)N1CCCCCC1c1ccncc1
InChIInChI=1S/C22H29N3O2/c1-17(6-7-18-8-10-20(26)11-9-18)24-22(27)25-16-4-2-3-5-21(25)19-12-14-23-15-13-19/h8-15,17,21,26H,2-7,16H2,1H3,(H,24,27)
InChIKeyOUQFIBABVZMUHX-UHFFFAOYSA-N
XLogP4.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135530053
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4-[1-(4-Hydroxyphenyl)-2-pyridin-3-ylprop-1-enyl]phenol
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4-[1-(4-Hydroxyphenyl)-2-(pyridin-3-ylmethyl)but-1-enyl]phenol
CID 166629948
4-[1-(4-Hydroxyphenyl)-2-methyl-4-pyridin-3-ylbut-1-enyl]phenol
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CID 166635135
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CID 118734005
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1-[(5-Fluoro-2-pyridinyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide (CID 87003054) is N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide is CC(CCc1ccc(O)cc1)NC(=O)N1CCCCCC1c1ccncc1.
What is the InChIKey of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is OUQFIBABVZMUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(6-7-18-8-10-20(26)11-9-18)24-22(27)25-16-4-2-3-5-21(25)19-12-14-23-15-13-19/h8-15,17,21,26H,2-7,16H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide?
N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)butan-2-yl]-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 87003054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).