N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H23N3O — CID 60571196

IUPACN-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H23N3O/c1-14(15-9-11-22-12-10-15)24(2)21(25)16-7-8-20-18(13-16)17-5-3-4-6-19(17)23-20/h7-14,23H,3-6H2,1-2H3
InChIKeyIZAXYMRLKUZVPU-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.27
Rot. Bonds3

About N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 60571196) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID60571196
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H23N3O/c1-14(15-9-11-22-12-10-15)24(2)21(25)16-7-8-20-18(13-16)17-5-3-4-6-19(17)23-20/h7-14,23H,3-6H2,1-2H3
InChIKeyIZAXYMRLKUZVPU-UHFFFAOYSA-N
XLogP4.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71942745
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
N-methyl-N-(1-pyridin-4-ylethyl)-7,8-dihydronaphthalene-2-carboxamide
CID 102563215
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 25397465
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554
[(2S)-1-amino-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7404453
2-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117330639

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 60571196) is N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC(c1ccncc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is IZAXYMRLKUZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(15-9-11-22-12-10-15)24(2)21(25)16-7-8-20-18(13-16)17-5-3-4-6-19(17)23-20/h7-14,23H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 60571196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).