N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C14H16N4O — CID 59626250

IUPACN-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESNC(N)=NC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H16N4O/c15-14(16)18-13(19)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h1-4,8,17H,5-7H2,(H4,15,16,18,19)
InChIKeyPNVXOPCTQRUHNT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.07
Rot. Bonds1

About N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 59626250) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID59626250
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESNC(N)=NC(=O)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H16N4O/c15-14(16)18-13(19)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h1-4,8,17H,5-7H2,(H4,15,16,18,19)
InChIKeyPNVXOPCTQRUHNT-UHFFFAOYSA-N
XLogP1.07
TPSA97.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
2-(azetidin-3-yl)-3-oxo-3-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 87644132
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527
N-prop-2-enyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203525
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 90725768
N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203621

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 59626250) is N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is NC(N)=NC(=O)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is PNVXOPCTQRUHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14(16)18-13(19)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h1-4,8,17H,5-7H2,(H4,15,16,18,19).
What are the key properties of N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 59626250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).