N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide

C14H19N3O2 — CID 154772685

IUPACN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide
SMILESCn1ccc(=O)c(C(=O)NC23CCCC2NCC3)c1
InChIInChI=1S/C14H19N3O2/c1-17-8-4-11(18)10(9-17)13(19)16-14-5-2-3-12(14)15-7-6-14/h4,8-9,12,15H,2-3,5-7H2,1H3,(H,16,19)
InChIKeyGOMPKZHKTGTRLT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.40
Rot. Bonds2

About N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide

N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide (PubChem CID 154772685) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide
PubChem CID154772685
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide
SMILESCn1ccc(=O)c(C(=O)NC23CCCC2NCC3)c1
InChIInChI=1S/C14H19N3O2/c1-17-8-4-11(18)10(9-17)13(19)16-14-5-2-3-12(14)15-7-6-14/h4,8-9,12,15H,2-3,5-7H2,1H3,(H,16,19)
InChIKeyGOMPKZHKTGTRLT-UHFFFAOYSA-N
XLogP0.40
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 138049809
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 138049806
1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 83619398
N-[(3aR,7aS)-2-oxo-3,4,5,6,7,7a-hexahydro-1H-indol-3a-yl]-1-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide
CID 136587959
N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
CID 138006724
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 138011592
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide
CID 154807672
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
CID 138006730
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
CID 82283727
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350667
4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide
CID 131708464

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide (CID 154772685) is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide is Cn1ccc(=O)c(C(=O)NC23CCCC2NCC3)c1.
What is the InChIKey of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is GOMPKZHKTGTRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-8-4-11(18)10(9-17)13(19)16-14-5-2-3-12(14)15-7-6-14/h4,8-9,12,15H,2-3,5-7H2,1H3,(H,16,19).
What are the key properties of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide?
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-1-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 154772685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).