6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide

C24H28N4O3 — CID 139295951

IUPAC6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc([C@@H](C)c2cccc3c2ccn3CCO)n1
InChIInChI=1S/C24H28N4O3/c1-14-11-19(14)27-23(30)16-12-20(26-21(13-16)24(31)25-3)15(2)17-5-4-6-22-18(17)7-8-28(22)9-10-29/h4-8,12-15,19,29H,9-11H2,1-3H3,(H,25,31)(H,27,30)/t14-,15-,19-/m0/s1
InChIKeyZHINWYMASBKSOV-DOXZYTNZSA-N
MW420.51 g/mol
LogP2.68
Rot. Bonds7

About 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide

6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide (PubChem CID 139295951) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
PubChem CID139295951
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc([C@@H](C)c2cccc3c2ccn3CCO)n1
InChIInChI=1S/C24H28N4O3/c1-14-11-19(14)27-23(30)16-12-20(26-21(13-16)24(31)25-3)15(2)17-5-4-6-22-18(17)7-8-28(22)9-10-29/h4-8,12-15,19,29H,9-11H2,1-3H3,(H,25,31)(H,27,30)/t14-,15-,19-/m0/s1
InChIKeyZHINWYMASBKSOV-DOXZYTNZSA-N
XLogP2.68
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide (CID 139295951) is 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc([C@@H](C)c2cccc3c2ccn3CCO)n1.
What is the InChIKey of 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
The InChIKey is ZHINWYMASBKSOV-DOXZYTNZSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-14-11-19(14)27-23(30)16-12-20(26-21(13-16)24(31)25-3)15(2)17-5-4-6-22-18(17)7-8-28(22)9-10-29/h4-8,12-15,19,29H,9-11H2,1-3H3,(H,25,31)(H,27,30)/t14-,15-,19-/m0/s1.
What are the key properties of 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 139295951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).