1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide

C29H31N5O2 — CID 158346667

IUPAC1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
SMILESO=C(Cc1ccc(-n2cc(C(=O)NCCN3CCCC3)c3ccccc32)cc1)NCc1cccnc1
InChIInChI=1S/C29H31N5O2/c35-28(32-20-23-6-5-13-30-19-23)18-22-9-11-24(12-10-22)34-21-26(25-7-1-2-8-27(25)34)29(36)31-14-17-33-15-3-4-16-33/h1-2,5-13,19,21H,3-4,14-18,20H2,(H,31,36)(H,32,35)
InChIKeyGRUUIGSFOMARBW-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.71
Rot. Bonds9

About 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide

1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide (PubChem CID 158346667) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
PubChem CID158346667
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
SMILESO=C(Cc1ccc(-n2cc(C(=O)NCCN3CCCC3)c3ccccc32)cc1)NCc1cccnc1
InChIInChI=1S/C29H31N5O2/c35-28(32-20-23-6-5-13-30-19-23)18-22-9-11-24(12-10-22)34-21-26(25-7-1-2-8-27(25)34)29(36)31-14-17-33-15-3-4-16-33/h1-2,5-13,19,21H,3-4,14-18,20H2,(H,31,36)(H,32,35)
InChIKeyGRUUIGSFOMARBW-UHFFFAOYSA-N
XLogP3.71
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-3-ylmethyl)-3-[4-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indol-1-yl]phenyl]urea
CID 71165061
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117088851
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
The IUPAC name of 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide (CID 158346667) is 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
The canonical SMILES for 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide is O=C(Cc1ccc(-n2cc(C(=O)NCCN3CCCC3)c3ccccc32)cc1)NCc1cccnc1.
What is the InChIKey of 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
The InChIKey is GRUUIGSFOMARBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c35-28(32-20-23-6-5-13-30-19-23)18-22-9-11-24(12-10-22)34-21-26(25-7-1-2-8-27(25)34)29(36)31-14-17-33-15-3-4-16-33/h1-2,5-13,19,21H,3-4,14-18,20H2,(H,31,36)(H,32,35).
What are the key properties of 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 158346667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).