N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

C25H26N4O — CID 53180631

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccnc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C25H26N4O/c30-25(28-21-12-11-18-8-4-9-20(18)16-21)22-10-5-13-27-24(22)29-15-14-26-23(17-29)19-6-2-1-3-7-19/h1-3,5-7,10-13,16,23,26H,4,8-9,14-15,17H2,(H,28,30)
InChIKeyFBVOBGKHCQWSIB-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.97
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 53180631) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID53180631
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cccnc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C25H26N4O/c30-25(28-21-12-11-18-8-4-9-20(18)16-21)22-10-5-13-27-24(22)29-15-14-26-23(17-29)19-6-2-1-3-7-19/h1-3,5-7,10-13,16,23,26H,4,8-9,14-15,17H2,(H,28,30)
InChIKeyFBVOBGKHCQWSIB-UHFFFAOYSA-N
XLogP3.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 53180631) is N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1cccnc1N1CCNC(c2ccccc2)C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is FBVOBGKHCQWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25(28-21-12-11-18-8-4-9-20(18)16-21)22-10-5-13-27-24(22)29-15-14-26-23(17-29)19-6-2-1-3-7-19/h1-3,5-7,10-13,16,23,26H,4,8-9,14-15,17H2,(H,28,30).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53180631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).