N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

C21H22N4O — CID 742363

IUPACN-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
SMILESO=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccncc1
InChIInChI=1S/C21H22N4O/c26-21(24-23-15-16-9-12-22-13-10-16)11-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-10,12-13,15H,2,4,6,8,11,14H2,(H,24,26)
InChIKeyIDCUQOSAITXTLZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.46
Rot. Bonds5

About N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide (PubChem CID 742363) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
PubChem CID742363
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
SMILESO=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccncc1
InChIInChI=1S/C21H22N4O/c26-21(24-23-15-16-9-12-22-13-10-16)11-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-10,12-13,15H,2,4,6,8,11,14H2,(H,24,26)
InChIKeyIDCUQOSAITXTLZ-UHFFFAOYSA-N
XLogP3.46
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate
CID 6864320
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888778
N-[(E)-(3-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888436
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 136757605
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 1385662
3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide
CID 5223647
1-(4-pyridin-4-ylpiperidin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 46362697
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
2-(benzotriazol-1-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 4004517
N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
CID 3111135
2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 45023018

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The IUPAC name of N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide (CID 742363) is N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide.
What is the SMILES notation for N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The canonical SMILES for N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The InChIKey is IDCUQOSAITXTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-23-15-16-9-12-22-13-10-16)11-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-10,12-13,15H,2,4,6,8,11,14H2,(H,24,26).
What are the key properties of N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is sourced from PubChem (CID 742363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).