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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Related Compounds

6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 46974701
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 92628240
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
CID 92625926
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-(4-methylpiperazin-1-yl)-N-[(2S,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide
CID 97212732
2-(4-methylpiperazin-1-yl)-N-[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-4-carboxamide
CID 97212733
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46975396

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).