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

C18H17N5O2 — CID 109187203

IUPACN-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N3CCN(C=O)CC3)cn2)c1
InChIInChI=1S/C18H17N5O2/c19-11-14-2-1-3-15(10-14)21-18(25)17-5-4-16(12-20-17)23-8-6-22(13-24)7-9-23/h1-5,10,12-13H,6-9H2,(H,21,25)
InChIKeyPLEIMKUTICDABY-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.48
Rot. Bonds4

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

N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109187203) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109187203
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N3CCN(C=O)CC3)cn2)c1
InChIInChI=1S/C18H17N5O2/c19-11-14-2-1-3-15(10-14)21-18(25)17-5-4-16(12-20-17)23-8-6-22(13-24)7-9-23/h1-5,10,12-13H,6-9H2,(H,21,25)
InChIKeyPLEIMKUTICDABY-UHFFFAOYSA-N
XLogP1.48
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
N-(4-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279021
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
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)-5-(diethylamino)pyridine-2-carboxamide
CID 109194832
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109187206
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (CID 109187203) is N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is N#Cc1cccc(NC(=O)c2ccc(N3CCN(C=O)CC3)cn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is PLEIMKUTICDABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-11-14-2-1-3-15(10-14)21-18(25)17-5-4-16(12-20-17)23-8-6-22(13-24)7-9-23/h1-5,10,12-13H,6-9H2,(H,21,25).
What are the key properties of N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.48, 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-formylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109187203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).