N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide

C22H28N4O3 — CID 10222385

IUPACN-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
SMILESCN1CCCC1CCOc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2
InChIInChI=1S/C22H28N4O3/c1-26-11-4-5-15(26)9-12-29-20-8-10-23-14-18(20)25-22(28)16-13-24-17-6-2-3-7-19(27)21(16)17/h8,10,13-15,24H,2-7,9,11-12H2,1H3,(H,25,28)
InChIKeyPIEVEMJIVUHYLZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.43
Rot. Bonds6

About N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide

N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide (PubChem CID 10222385) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
PubChem CID10222385
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
SMILESCN1CCCC1CCOc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2
InChIInChI=1S/C22H28N4O3/c1-26-11-4-5-15(26)9-12-29-20-8-10-23-14-18(20)25-22(28)16-13-24-17-6-2-3-7-19(27)21(16)17/h8,10,13-15,24H,2-7,9,11-12H2,1H3,(H,25,28)
InChIKeyPIEVEMJIVUHYLZ-UHFFFAOYSA-N
XLogP3.43
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide with MolForge

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Related Compounds

4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 18696540
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methanol
CID 81238136
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250859
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 81251005
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114138605
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide
CID 66928061
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The IUPAC name of N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide (CID 10222385) is N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The canonical SMILES for N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide is CN1CCCC1CCOc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2.
What is the InChIKey of N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The InChIKey is PIEVEMJIVUHYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-26-11-4-5-15(26)9-12-29-20-8-10-23-14-18(20)25-22(28)16-13-24-17-6-2-3-7-19(27)21(16)17/h8,10,13-15,24H,2-7,9,11-12H2,1H3,(H,25,28).
What are the key properties of N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide is sourced from PubChem (CID 10222385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).