N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C24H31N5O2 — CID 46977857

IUPACN-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)c(CC(C)NC(=O)c1ccnc(N3CCN(C)CC3)c1)cn2C
InChIInChI=1S/C24H31N5O2/c1-17(13-19-16-28(3)22-6-5-20(31-4)15-21(19)22)26-24(30)18-7-8-25-23(14-18)29-11-9-27(2)10-12-29/h5-8,14-17H,9-13H2,1-4H3,(H,26,30)
InChIKeyVVXCDVCYBOFKIJ-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.69
Rot. Bonds6

About N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 46977857) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID46977857
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)c(CC(C)NC(=O)c1ccnc(N3CCN(C)CC3)c1)cn2C
InChIInChI=1S/C24H31N5O2/c1-17(13-19-16-28(3)22-6-5-20(31-4)15-21(19)22)26-24(30)18-7-8-25-23(14-18)29-11-9-27(2)10-12-29/h5-8,14-17H,9-13H2,1-4H3,(H,26,30)
InChIKeyVVXCDVCYBOFKIJ-UHFFFAOYSA-N
XLogP2.69
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 46977857) is N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is COc1ccc2c(c1)c(CC(C)NC(=O)c1ccnc(N3CCN(C)CC3)c1)cn2C.
What is the InChIKey of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is VVXCDVCYBOFKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17(13-19-16-28(3)22-6-5-20(31-4)15-21(19)22)26-24(30)18-7-8-25-23(14-18)29-11-9-27(2)10-12-29/h5-8,14-17H,9-13H2,1-4H3,(H,26,30).
What are the key properties of N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46977857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).