N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C23H28N4O3 — CID 90010905

IUPACN-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCC(C)CC(=O)N1CC(Oc2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1
InChIInChI=1S/C23H28N4O3/c1-16(2)10-22(28)26-14-21(15-26)30-20-7-5-19(6-8-20)25-23(29)27-12-18(13-27)17-4-3-9-24-11-17/h3-9,11,16,18,21H,10,12-15H2,1-2H3,(H,25,29)
InChIKeySYUQFYPWDYMYTB-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.35
Rot. Bonds6

About N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 90010905) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
PubChem CID90010905
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESCC(C)CC(=O)N1CC(Oc2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1
InChIInChI=1S/C23H28N4O3/c1-16(2)10-22(28)26-14-21(15-26)30-20-7-5-19(6-8-20)25-23(29)27-12-18(13-27)17-4-3-9-24-11-17/h3-9,11,16,18,21H,10,12-15H2,1-2H3,(H,25,29)
InChIKeySYUQFYPWDYMYTB-UHFFFAOYSA-N
XLogP3.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030
N-[4-[(3S)-1-[(2S)-2-methylbutanoyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 86288688
N-[4-[1-(3-methylpentanoyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011322
N-[4-[(3R)-1-(2-ethoxyacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011545
N-[4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011040
N-[4-[(3R)-1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011037
N-[4-[(3R)-3-(3-methylbutanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011196
N-[4-[(3R)-1-(3-piperidin-1-ylpropanoyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90010939
N-[4-[1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011158
N-[4-[(3R)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 86288529
N-[4-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011179
N-[4-[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011224

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 90010905) is N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is CC(C)CC(=O)N1CC(Oc2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1.
What is the InChIKey of N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is SYUQFYPWDYMYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(2)10-22(28)26-14-21(15-26)30-20-7-5-19(6-8-20)25-23(29)27-12-18(13-27)17-4-3-9-24-11-17/h3-9,11,16,18,21H,10,12-15H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methylbutanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 90010905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).