4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide

C23H28N6O2 — CID 78832231

IUPAC4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C23H28N6O2/c24-16-21-2-1-7-25-22(21)28-8-10-29(11-9-28)23(30)26-17-19-3-5-20(6-4-19)18-27-12-14-31-15-13-27/h1-7H,8-15,17-18H2,(H,26,30)
InChIKeyPGIVFWZBPZJQNB-UHFFFAOYSA-N
MW420.52 g/mol
LogP1.82
Rot. Bonds5

About 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide

4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 78832231) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID78832231
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESN#Cc1cccnc1N1CCN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C23H28N6O2/c24-16-21-2-1-7-25-22(21)28-8-10-29(11-9-28)23(30)26-17-19-3-5-20(6-4-19)18-27-12-14-31-15-13-27/h1-7H,8-15,17-18H2,(H,26,30)
InChIKeyPGIVFWZBPZJQNB-UHFFFAOYSA-N
XLogP1.82
TPSA84.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327
4-(3-cyano-2-pyridinyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86915013
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60577602
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
4-(3-cyano-2-pyridinyl)-N-[(1-phenylcyclobutyl)methyl]-1,4-diazepane-1-carboxamide
CID 86837353
2-[4-(1-benzylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86833369

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide (CID 78832231) is 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide is N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is PGIVFWZBPZJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c24-16-21-2-1-7-25-22(21)28-8-10-29(11-9-28)23(30)26-17-19-3-5-20(6-4-19)18-27-12-14-31-15-13-27/h1-7H,8-15,17-18H2,(H,26,30).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide?
4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 78832231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).