N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide

C25H32N4O3 — CID 86274461

IUPACN-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3[nH]c(CN4CCC[C@@H]4CO)cc3c2)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C25H32N4O3/c1-25(2,3)28-23(31)21-12-18(13-26-24(21)32-4)16-7-8-22-17(10-16)11-19(27-22)14-29-9-5-6-20(29)15-30/h7-8,10-13,20,27,30H,5-6,9,14-15H2,1-4H3,(H,28,31)/t20-/m1/s1
InChIKeyNHZHULPTRRWJTD-HXUWFJFHSA-N
MW436.56 g/mol
LogP3.72
Rot. Bonds6

About N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide

N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 86274461) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide
PubChem CID86274461
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3[nH]c(CN4CCC[C@@H]4CO)cc3c2)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C25H32N4O3/c1-25(2,3)28-23(31)21-12-18(13-26-24(21)32-4)16-7-8-22-17(10-16)11-19(27-22)14-29-9-5-6-20(29)15-30/h7-8,10-13,20,27,30H,5-6,9,14-15H2,1-4H3,(H,28,31)/t20-/m1/s1
InChIKeyNHZHULPTRRWJTD-HXUWFJFHSA-N
XLogP3.72
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide (CID 86274461) is N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3[nH]c(CN4CCC[C@@H]4CO)cc3c2)cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is NHZHULPTRRWJTD-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2,3)28-23(31)21-12-18(13-26-24(21)32-4)16-7-8-22-17(10-16)11-19(27-22)14-29-9-5-6-20(29)15-30/h7-8,10-13,20,27,30H,5-6,9,14-15H2,1-4H3,(H,28,31)/t20-/m1/s1.
What are the key properties of N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide?
N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 86274461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).