N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide

C25H25N3O2 — CID 59627775

IUPACN-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide
SMILESCc1ccc(-n2ccc3c(-c4ccc(C)cn4)cc(C(=O)N[C@@H](C)CO)cc32)cc1
InChIInChI=1S/C25H25N3O2/c1-16-4-7-20(8-5-16)28-11-10-21-22(23-9-6-17(2)14-26-23)12-19(13-24(21)28)25(30)27-18(3)15-29/h4-14,18,29H,15H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyUVWCVNQNJGWCJG-SFHVURJKSA-N
MW399.49 g/mol
LogP4.42
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide (PubChem CID 59627775) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide
PubChem CID59627775
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide
SMILESCc1ccc(-n2ccc3c(-c4ccc(C)cn4)cc(C(=O)N[C@@H](C)CO)cc32)cc1
InChIInChI=1S/C25H25N3O2/c1-16-4-7-20(8-5-16)28-11-10-21-22(23-9-6-17(2)14-26-23)12-19(13-24(21)28)25(30)27-18(3)15-29/h4-14,18,29H,15H2,1-3H3,(H,27,30)/t18-/m0/s1
InChIKeyUVWCVNQNJGWCJG-SFHVURJKSA-N
XLogP4.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide (CID 59627775) is N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide is Cc1ccc(-n2ccc3c(-c4ccc(C)cn4)cc(C(=O)N[C@@H](C)CO)cc32)cc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide?
The InChIKey is UVWCVNQNJGWCJG-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-4-7-20(8-5-16)28-11-10-21-22(23-9-6-17(2)14-26-23)12-19(13-24(21)28)25(30)27-18(3)15-29/h4-14,18,29H,15H2,1-3H3,(H,27,30)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide is sourced from PubChem (CID 59627775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).