N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C22H23N5O2 — CID 34587172

IUPACN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cn2)CCN1
InChIInChI=1S/C22H23N5O2/c28-21-13-27(10-9-23-21)20-8-6-15(12-24-20)25-22(29)14-5-7-19-17(11-14)16-3-1-2-4-18(16)26-19/h5-8,11-12,26H,1-4,9-10,13H2,(H,23,28)(H,25,29)
InChIKeyNAWKHBCVYMXSCJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.63
Rot. Bonds3

About N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 34587172) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID34587172
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cn2)CCN1
InChIInChI=1S/C22H23N5O2/c28-21-13-27(10-9-23-21)20-8-6-15(12-24-20)25-22(29)14-5-7-19-17(11-14)16-3-1-2-4-18(16)26-19/h5-8,11-12,26H,1-4,9-10,13H2,(H,23,28)(H,25,29)
InChIKeyNAWKHBCVYMXSCJ-UHFFFAOYSA-N
XLogP2.63
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

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Related Compounds

4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
N-(1-propan-2-ylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71933883
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42239539
2-methylsulfanyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrimidine-5-carboxamide
CID 16676147
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 34587172) is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C1CN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cn2)CCN1.
What is the InChIKey of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is NAWKHBCVYMXSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21-13-27(10-9-23-21)20-8-6-15(12-24-20)25-22(29)14-5-7-19-17(11-14)16-3-1-2-4-18(16)26-19/h5-8,11-12,26H,1-4,9-10,13H2,(H,23,28)(H,25,29).
What are the key properties of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 34587172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).