N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide

C24H27N5O — CID 71292345

IUPACN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)nc2)CC1
InChIInChI=1S/C24H27N5O/c1-18(2)28-13-15-29(16-14-28)21-10-11-23(26-17-21)27-24(30)20-8-6-19(7-9-20)22-5-3-4-12-25-22/h3-12,17-18H,13-16H2,1-2H3,(H,26,27,30)
InChIKeyLAXDQTSFVDFBFM-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.93
Rot. Bonds5

About N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide

N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide (PubChem CID 71292345) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide
PubChem CID71292345
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)nc2)CC1
InChIInChI=1S/C24H27N5O/c1-18(2)28-13-15-29(16-14-28)21-10-11-23(26-17-21)27-24(30)20-8-6-19(7-9-20)22-5-3-4-12-25-22/h3-12,17-18H,13-16H2,1-2H3,(H,26,27,30)
InChIKeyLAXDQTSFVDFBFM-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide (CID 71292345) is N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide is CC(C)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)nc2)CC1.
What is the InChIKey of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide?
The InChIKey is LAXDQTSFVDFBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-18(2)28-13-15-29(16-14-28)21-10-11-23(26-17-21)27-24(30)20-8-6-19(7-9-20)22-5-3-4-12-25-22/h3-12,17-18H,13-16H2,1-2H3,(H,26,27,30).
What are the key properties of N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide?
N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 71292345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).