N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide

C19H18N4O2 — CID 24852124

IUPACN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)c1ccncc1
InChIInChI=1S/C19H18N4O2/c24-18(12-3-7-20-8-4-12)21-9-5-13-11-23-16-2-1-15-14(17(13)16)6-10-22-19(15)25/h1-4,7-8,11,23H,5-6,9-10H2,(H,21,24)(H,22,25)
InChIKeyXDJBPOOLDFAUJA-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.82
Rot. Bonds4

About N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide

N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide (PubChem CID 24852124) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide
PubChem CID24852124
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)c1ccncc1
InChIInChI=1S/C19H18N4O2/c24-18(12-3-7-20-8-4-12)21-9-5-13-11-23-16-2-1-15-14(17(13)16)6-10-22-19(15)25/h1-4,7-8,11,23H,5-6,9-10H2,(H,21,24)(H,22,25)
InChIKeyXDJBPOOLDFAUJA-UHFFFAOYSA-N
XLogP1.82
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide (CID 24852124) is N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)c1ccncc1.
What is the InChIKey of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is XDJBPOOLDFAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(12-3-7-20-8-4-12)21-9-5-13-11-23-16-2-1-15-14(17(13)16)6-10-22-19(15)25/h1-4,7-8,11,23H,5-6,9-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide?
N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 24852124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).