N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

C23H21N5O — CID 109193469

IUPACN-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C23H21N5O/c24-16-18-5-4-6-19(15-18)26-23(29)22-10-9-21(17-25-22)28-13-11-27(12-14-28)20-7-2-1-3-8-20/h1-10,15,17H,11-14H2,(H,26,29)
InChIKeyGDHLSUMFZTYKLD-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.53
Rot. Bonds4

About N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109193469) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109193469
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)cn2)c1
InChIInChI=1S/C23H21N5O/c24-16-18-5-4-6-19(15-18)26-23(29)22-10-9-21(17-25-22)28-13-11-27(12-14-28)20-7-2-1-3-8-20/h1-10,15,17H,11-14H2,(H,26,29)
InChIKeyGDHLSUMFZTYKLD-UHFFFAOYSA-N
XLogP3.53
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109187203
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109194372
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
N-(3-cyanophenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076838
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
N-(3-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688681

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 109193469) is N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is N#Cc1cccc(NC(=O)c2ccc(N3CCN(c4ccccc4)CC3)cn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is GDHLSUMFZTYKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-16-18-5-4-6-19(15-18)26-23(29)22-10-9-21(17-25-22)28-13-11-27(12-14-28)20-7-2-1-3-8-20/h1-10,15,17H,11-14H2,(H,26,29).
What are the key properties of N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109193469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).