N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide

C26H34N4O3 — CID 90013005

IUPACN-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCCC(C)CC(=O)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C26H34N4O3/c1-3-19(2)15-25(31)29-13-10-24(11-14-29)33-23-8-6-21(7-9-23)30(22-5-4-12-27-18-22)26(32)20-16-28-17-20/h4-9,12,18-20,24,28H,3,10-11,13-17H2,1-2H3
InChIKeyNFFQRDOQDAPBEO-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.77
Rot. Bonds8

About N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide

N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (PubChem CID 90013005) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
PubChem CID90013005
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCCC(C)CC(=O)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C26H34N4O3/c1-3-19(2)15-25(31)29-13-10-24(11-14-29)33-23-8-6-21(7-9-23)30(22-5-4-12-27-18-22)26(32)20-16-28-17-20/h4-9,12,18-20,24,28H,3,10-11,13-17H2,1-2H3
InChIKeyNFFQRDOQDAPBEO-UHFFFAOYSA-N
XLogP3.77
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide (CID 90013005) is N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is CCC(C)CC(=O)N1CCC(Oc2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The InChIKey is NFFQRDOQDAPBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-3-19(2)15-25(31)29-13-10-24(11-14-29)33-23-8-6-21(7-9-23)30(22-5-4-12-27-18-22)26(32)20-16-28-17-20/h4-9,12,18-20,24,28H,3,10-11,13-17H2,1-2H3.
What are the key properties of N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90013005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).