N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide

C24H23N5O2 — CID 55568938

IUPACN-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
SMILESN#Cc1ccnc(N2CCN(C(=O)CCNC(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H23N5O2/c25-17-18-7-9-26-22(15-18)28-11-13-29(14-12-28)23(30)8-10-27-24(31)21-6-5-19-3-1-2-4-20(19)16-21/h1-7,9,15-16H,8,10-14H2,(H,27,31)
InChIKeyNGDLGIBRNVEOPH-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.58
Rot. Bonds5

About N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55568938) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55568938
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
SMILESN#Cc1ccnc(N2CCN(C(=O)CCNC(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H23N5O2/c25-17-18-7-9-26-22(15-18)28-11-13-29(14-12-28)23(30)8-10-27-24(31)21-6-5-19-3-1-2-4-20(19)16-21/h1-7,9,15-16H,8,10-14H2,(H,27,31)
InChIKeyNGDLGIBRNVEOPH-UHFFFAOYSA-N
XLogP2.58
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 31886454
N-[2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55550122
N-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589113
4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 154807018
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55793953
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261707
N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46481818
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
CID 31882746
2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 25332203
N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 55614190

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide (CID 55568938) is N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide is N#Cc1ccnc(N2CCN(C(=O)CCNC(=O)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is NGDLGIBRNVEOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-17-18-7-9-26-22(15-18)28-11-13-29(14-12-28)23(30)8-10-27-24(31)21-6-5-19-3-1-2-4-20(19)16-21/h1-7,9,15-16H,8,10-14H2,(H,27,31).
What are the key properties of N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55568938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).