6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

C22H25N3O2 — CID 39983983

IUPAC6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-27-19-9-8-18-12-21(24-20(18)13-19)22(26)23-14-16-4-6-17(7-5-16)15-25-10-2-3-11-25/h4-9,12-13,24H,2-3,10-11,14-15H2,1H3,(H,23,26)
InChIKeyNKZHSXQPTWOUDD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.70
Rot. Bonds6

About 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide

6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 39983983) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID39983983
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H25N3O2/c1-27-19-9-8-18-12-21(24-20(18)13-19)22(26)23-14-16-4-6-17(7-5-16)15-25-10-2-3-11-25/h4-9,12-13,24H,2-3,10-11,14-15H2,1H3,(H,23,26)
InChIKeyNKZHSXQPTWOUDD-UHFFFAOYSA-N
XLogP3.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55953711
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
CID 91818965
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 159721704
2-[(4-methoxyphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46766994
2-(4-methoxyphenyl)-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24550651

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 39983983) is 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is NKZHSXQPTWOUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-19-9-8-18-12-21(24-20(18)13-19)22(26)23-14-16-4-6-17(7-5-16)15-25-10-2-3-11-25/h4-9,12-13,24H,2-3,10-11,14-15H2,1H3,(H,23,26).
What are the key properties of 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 39983983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).