4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

C23H28N6O — CID 78857188

IUPAC4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NC(CN2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C23H28N6O/c24-17-20-9-6-10-25-22(20)28-13-15-29(16-14-28)23(30)26-21(18-27-11-4-5-12-27)19-7-2-1-3-8-19/h1-3,6-10,21H,4-5,11-16,18H2,(H,26,30)
InChIKeyVBJHJQDPGKPPDQ-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.62
Rot. Bonds5

About 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 78857188) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID78857188
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NC(CN2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C23H28N6O/c24-17-20-9-6-10-25-22(20)28-13-15-29(16-14-28)23(30)26-21(18-27-11-4-5-12-27)19-7-2-1-3-8-19/h1-3,6-10,21H,4-5,11-16,18H2,(H,26,30)
InChIKeyVBJHJQDPGKPPDQ-UHFFFAOYSA-N
XLogP2.62
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
N-benzhydryl-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037675
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
N-(2-methoxy-1-phenylethyl)-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide
CID 154801380
4-(3-cyano-2-pyridinyl)-N-[(1-phenylcyclobutyl)methyl]-1,4-diazepane-1-carboxamide
CID 86837353
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylcyclopropane-1-carboxamide
CID 66692410
4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86915013
4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 78832231

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (CID 78857188) is 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is N#Cc1cccnc1N1CCN(C(=O)NC(CN2CCCC2)c2ccccc2)CC1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is VBJHJQDPGKPPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c24-17-20-9-6-10-25-22(20)28-13-15-29(16-14-28)23(30)26-21(18-27-11-4-5-12-27)19-7-2-1-3-8-19/h1-3,6-10,21H,4-5,11-16,18H2,(H,26,30).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 78857188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).