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

C23H23N5O — CID 172622961

IUPACN-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNc1cc2ccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2c(N)n1
InChIInChI=1S/C23H23N5O/c24-21-11-14-6-5-13(9-17(14)22(25)28-21)12-26-23(29)15-7-8-20-18(10-15)16-3-1-2-4-19(16)27-20/h5-11,27H,1-4,12H2,(H,26,29)(H4,24,25,28)
InChIKeyMHAHOJNOVDFXTF-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.69
Rot. Bonds3

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

N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 172622961) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID172622961
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNc1cc2ccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2c(N)n1
InChIInChI=1S/C23H23N5O/c24-21-11-14-6-5-13(9-17(14)22(25)28-21)12-26-23(29)15-7-8-20-18(10-15)16-3-1-2-4-19(16)27-20/h5-11,27H,1-4,12H2,(H,26,29)(H4,24,25,28)
InChIKeyMHAHOJNOVDFXTF-UHFFFAOYSA-N
XLogP3.69
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
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CID 3297671
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 51185250
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
1-methyl-6-oxo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyridazine-3-carboxamide
CID 56875329
N-[(1-benzylimidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71926269
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 172622961) is N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is Nc1cc2ccc(CNC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2c(N)n1.
What is the InChIKey of N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is MHAHOJNOVDFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-21-11-14-6-5-13(9-17(14)22(25)28-21)12-26-23(29)15-7-8-20-18(10-15)16-3-1-2-4-19(16)27-20/h5-11,27H,1-4,12H2,(H,26,29)(H4,24,25,28).
What are the key properties of N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 172622961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).