N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide

C14H17N3O — CID 80564493

IUPACN-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
SMILESO=C(NCC1CCNC1)c1cccc2cc[nH]c12
InChIInChI=1S/C14H17N3O/c18-14(17-9-10-4-6-15-8-10)12-3-1-2-11-5-7-16-13(11)12/h1-3,5,7,10,15-16H,4,6,8-9H2,(H,17,18)
InChIKeyYFKQYSQFZZYHCQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.51
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide

N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide (PubChem CID 80564493) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
PubChem CID80564493
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
SMILESO=C(NCC1CCNC1)c1cccc2cc[nH]c12
InChIInChI=1S/C14H17N3O/c18-14(17-9-10-4-6-15-8-10)12-3-1-2-11-5-7-16-13(11)12/h1-3,5,7,10,15-16H,4,6,8-9H2,(H,17,18)
InChIKeyYFKQYSQFZZYHCQ-UHFFFAOYSA-N
XLogP1.51
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
N-(3-cyclopentylpropyl)-1H-indole-7-carboxamide
CID 103706667
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide
CID 115686996
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916
N-[3-(cyclopropylamino)-3-oxopropyl]-1H-indole-7-carboxamide
CID 79396451

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide (CID 80564493) is N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide is O=C(NCC1CCNC1)c1cccc2cc[nH]c12.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide?
The InChIKey is YFKQYSQFZZYHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(17-9-10-4-6-15-8-10)12-3-1-2-11-5-7-16-13(11)12/h1-3,5,7,10,15-16H,4,6,8-9H2,(H,17,18).
What are the key properties of N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide?
N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 80564493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).