N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide

C24H28N4O2 — CID 123697320

IUPACN-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide
SMILESCCC(=O)NC1CCC(N(C)C(=O)c2ccc(-c3ccc4c(ccn4C)c3)cn2)C1
InChIInChI=1S/C24H28N4O2/c1-4-23(29)26-19-7-8-20(14-19)28(3)24(30)21-9-5-18(15-25-21)16-6-10-22-17(13-16)11-12-27(22)2/h5-6,9-13,15,19-20H,4,7-8,14H2,1-3H3,(H,26,29)
InChIKeyRUZWVRUVQMZVRO-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.76
Rot. Bonds5

About N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide

N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide (PubChem CID 123697320) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide
PubChem CID123697320
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide
SMILESCCC(=O)NC1CCC(N(C)C(=O)c2ccc(-c3ccc4c(ccn4C)c3)cn2)C1
InChIInChI=1S/C24H28N4O2/c1-4-23(29)26-19-7-8-20(14-19)28(3)24(30)21-9-5-18(15-25-21)16-6-10-22-17(13-16)11-12-27(22)2/h5-6,9-13,15,19-20H,4,7-8,14H2,1-3H3,(H,26,29)
InChIKeyRUZWVRUVQMZVRO-UHFFFAOYSA-N
XLogP3.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide (CID 123697320) is N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide is CCC(=O)NC1CCC(N(C)C(=O)c2ccc(-c3ccc4c(ccn4C)c3)cn2)C1.
What is the InChIKey of N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide?
The InChIKey is RUZWVRUVQMZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-23(29)26-19-7-8-20(14-19)28(3)24(30)21-9-5-18(15-25-21)16-6-10-22-17(13-16)11-12-27(22)2/h5-6,9-13,15,19-20H,4,7-8,14H2,1-3H3,(H,26,29).
What are the key properties of N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide?
N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methylindol-5-yl)-N-[3-(propanoylamino)cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 123697320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).