N-pyrrolidin-3-ylisoquinoline-7-carboxamide

C14H15N3O — CID 18337236

IUPACN-pyrrolidin-3-ylisoquinoline-7-carboxamide
SMILESO=C(NC1CCNC1)c1ccc2ccncc2c1
InChIInChI=1S/C14H15N3O/c18-14(17-13-4-6-16-9-13)11-2-1-10-3-5-15-8-12(10)7-11/h1-3,5,7-8,13,16H,4,6,9H2,(H,17,18)
InChIKeyMEHSLQALQVSXQY-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.33
Rot. Bonds2

About N-pyrrolidin-3-ylisoquinoline-7-carboxamide

N-pyrrolidin-3-ylisoquinoline-7-carboxamide (PubChem CID 18337236) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-pyrrolidin-3-ylisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylisoquinoline-7-carboxamide
PubChem CID18337236
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-pyrrolidin-3-ylisoquinoline-7-carboxamide
SMILESO=C(NC1CCNC1)c1ccc2ccncc2c1
InChIInChI=1S/C14H15N3O/c18-14(17-13-4-6-16-9-13)11-2-1-10-3-5-15-8-12(10)7-11/h1-3,5,7-8,13,16H,4,6,9H2,(H,17,18)
InChIKeyMEHSLQALQVSXQY-UHFFFAOYSA-N
XLogP1.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptylisoquinoline-6-carboxamide
CID 110485190
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
isoquinoline-7-carboxylic acid
CID 18468721
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylisoquinoline-7-carboxamide?
The IUPAC name of N-pyrrolidin-3-ylisoquinoline-7-carboxamide (CID 18337236) is N-pyrrolidin-3-ylisoquinoline-7-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-ylisoquinoline-7-carboxamide?
The canonical SMILES for N-pyrrolidin-3-ylisoquinoline-7-carboxamide is O=C(NC1CCNC1)c1ccc2ccncc2c1.
What is the InChIKey of N-pyrrolidin-3-ylisoquinoline-7-carboxamide?
The InChIKey is MEHSLQALQVSXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(17-13-4-6-16-9-13)11-2-1-10-3-5-15-8-12(10)7-11/h1-3,5,7-8,13,16H,4,6,9H2,(H,17,18).
What are the key properties of N-pyrrolidin-3-ylisoquinoline-7-carboxamide?
N-pyrrolidin-3-ylisoquinoline-7-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylisoquinoline-7-carboxamide is sourced from PubChem (CID 18337236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).