N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

C26H29N7O2 — CID 53069744

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3)CC2)cc1
InChIInChI=1S/C26H29N7O2/c1-35-23-10-8-21(9-11-23)32-17-15-31(16-18-32)14-4-13-28-26(34)20-5-2-6-22(19-20)33-25-24(29-30-33)7-3-12-27-25/h2-3,5-12,19H,4,13-18H2,1H3,(H,28,34)
InChIKeySZVRNWIJZFAQHX-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.77
Rot. Bonds8

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53069744) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53069744
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3)CC2)cc1
InChIInChI=1S/C26H29N7O2/c1-35-23-10-8-21(9-11-23)32-17-15-31(16-18-32)14-4-13-28-26(34)20-5-2-6-22(19-20)33-25-24(29-30-33)7-3-12-27-25/h2-3,5-12,19H,4,13-18H2,1H3,(H,28,34)
InChIKeySZVRNWIJZFAQHX-UHFFFAOYSA-N
XLogP2.77
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069827
N-(3-pyrrolidin-1-ylpropyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53069742
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067547
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42224724
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53069744) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is COc1ccc(N2CCN(CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is SZVRNWIJZFAQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-35-23-10-8-21(9-11-23)32-17-15-31(16-18-32)14-4-13-28-26(34)20-5-2-6-22(19-20)33-25-24(29-30-33)7-3-12-27-25/h2-3,5-12,19H,4,13-18H2,1H3,(H,28,34).
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 471.57 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53069744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).