[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate

C23H20ClN5O3 — CID 175008487

IUPAC[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1ncccc1Cc1cncc(C(=O)NCc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H20ClN5O3/c24-19-12-28-20-4-3-14(8-18(19)20)10-29-22(30)17-7-15(9-26-11-17)6-16-2-1-5-27-21(16)13-32-23(25)31/h1-5,7-9,11-12,28H,6,10,13H2,(H2,25,31)(H,29,30)
InChIKeyFCJPYJZUZBAIIR-UHFFFAOYSA-N
MW449.90 g/mol
LogP3.73
Rot. Bonds7

About [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate

[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate (PubChem CID 175008487) has the molecular formula C23H20ClN5O3 and a molecular weight of 449.90 g/mol. Its IUPAC name is [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate
PubChem CID175008487
Molecular FormulaC23H20ClN5O3
Molecular Weight449.90 g/mol
Exact Mass449.13
IUPAC Name[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate
SMILESNC(=O)OCc1ncccc1Cc1cncc(C(=O)NCc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H20ClN5O3/c24-19-12-28-20-4-3-14(8-18(19)20)10-29-22(30)17-7-15(9-26-11-17)6-16-2-1-5-27-21(16)13-32-23(25)31/h1-5,7-9,11-12,28H,6,10,13H2,(H2,25,31)(H,29,30)
InChIKeyFCJPYJZUZBAIIR-UHFFFAOYSA-N
XLogP3.73
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate with MolForge

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Related Compounds

5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118213110
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213156
5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212905
N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212256
N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213098
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane
CID 144880564
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
5-[[4-(1-acetylpyrrolidin-2-yl)-3-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212299
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
N-[(5-amino-3-methylpyrazin-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212500
N-[(3,4-dichlorophenyl)methyl]-5-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrole-3-carboxamide
CID 146637909

Frequently Asked Questions

What is the IUPAC name of [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate?
The IUPAC name of [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate (CID 175008487) is [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate.
What is the SMILES notation for [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate?
The canonical SMILES for [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate is NC(=O)OCc1ncccc1Cc1cncc(C(=O)NCc2ccc3[nH]cc(Cl)c3c2)c1.
What is the InChIKey of [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate?
The InChIKey is FCJPYJZUZBAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3/c24-19-12-28-20-4-3-14(8-18(19)20)10-29-22(30)17-7-15(9-26-11-17)6-16-2-1-5-27-21(16)13-32-23(25)31/h1-5,7-9,11-12,28H,6,10,13H2,(H2,25,31)(H,29,30).
What are the key properties of [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate?
[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate has a molecular weight of 449.90 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate is sourced from PubChem (CID 175008487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).