4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide

C24H21N5O3 — CID 56545856

IUPAC4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CC1
InChIInChI=1S/C24H21N5O3/c25-16-19-2-1-11-27-23(19)28-12-14-29(15-13-28)24(31)18-5-9-21(10-6-18)32-20-7-3-17(4-8-20)22(26)30/h1-11H,12-15H2,(H2,26,30)
InChIKeyPZJIMROKOCBJKF-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.81
Rot. Bonds5

About 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide

4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide (PubChem CID 56545856) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
PubChem CID56545856
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CC1
InChIInChI=1S/C24H21N5O3/c25-16-19-2-1-11-27-23(19)28-12-14-29(15-13-28)24(31)18-5-9-21(10-6-18)32-20-7-3-17(4-8-20)22(26)30/h1-11H,12-15H2,(H2,26,30)
InChIKeyPZJIMROKOCBJKF-UHFFFAOYSA-N
XLogP2.81
TPSA112.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]phenoxy]benzamide
CID 56548995
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
4-[4-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]phenoxy]benzamide
CID 56548837
2-[4-[4-(diethylamino)benzoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86850953
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
2-[4-(3-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 58989779
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 11741241
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
2-[4-(5-nitro-2-phenoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55759471
4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55455849

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide (CID 56545856) is 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide is N#Cc1cccnc1N1CCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide?
The InChIKey is PZJIMROKOCBJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c25-16-19-2-1-11-27-23(19)28-12-14-29(15-13-28)24(31)18-5-9-21(10-6-18)32-20-7-3-17(4-8-20)22(26)30/h1-11H,12-15H2,(H2,26,30).
What are the key properties of 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide?
4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide has a molecular weight of 427.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide is sourced from PubChem (CID 56545856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).