but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine

C23H21N3O4 — CID 67901304

IUPACbut-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine
SMILESCCN(c1ccncc1)n1c2ccccc2c2ccccc21.O=C(O)C=CC(=O)O
InChIInChI=1S/C19H17N3.C4H4O4/c1-2-21(15-11-13-20-14-12-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;5-3(6)1-2-4(7)8/h3-14H,2H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyJUPRJUYFSGVWKS-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.19
Rot. Bonds5

About but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine

but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine (PubChem CID 67901304) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine.

Molecular Properties

Compound Namebut-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine
PubChem CID67901304
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Namebut-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine
SMILESCCN(c1ccncc1)n1c2ccccc2c2ccccc21.O=C(O)C=CC(=O)O
InChIInChI=1S/C19H17N3.C4H4O4/c1-2-21(15-11-13-20-14-12-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;5-3(6)1-2-4(7)8/h3-14H,2H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyJUPRJUYFSGVWKS-UHFFFAOYSA-N
XLogP4.19
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine
CID 14536465
(Z)-but-2-enedioic acid;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine
CID 70145577
(E)-but-2-enedioic acid;N,N-diphenylaniline
CID 139301590
(E)-but-2-enedioic acid;1-propan-2-ylindazole-3-carboxylic acid
CID 162310578
(E)-4-[(1-methylindazol-3-yl)amino]-4-oxobut-2-enoic acid
CID 122360690
1-[ethyl(pyridin-4-yl)amino]pyrrole-3-carbaldehyde
CID 14232142
but-2-enedioic acid;bis(pyridine)
CID 173055227
2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide
CID 19802660
(E)-but-2-enedioic acid;3,4-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
CID 77106570
(Z)-but-2-enedioic acid;2-butyl-N-methyl-N-pyrrol-1-ylpyridin-4-amine
CID 14232145
but-2-enedioic acid;N-pyridin-4-ylindol-1-amine
CID 57346992
(E)-but-2-enedioic acid;N-[(2-pyridin-4-ylphenyl)methyl]ethanamine
CID 175841368

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine?
The IUPAC name of but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine (CID 67901304) is but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine.
What is the SMILES notation for but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine?
The canonical SMILES for but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine is CCN(c1ccncc1)n1c2ccccc2c2ccccc21.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine?
The InChIKey is JUPRJUYFSGVWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3.C4H4O4/c1-2-21(15-11-13-20-14-12-15)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;5-3(6)1-2-4(7)8/h3-14H,2H2,1H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine?
but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine has a molecular weight of 403.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine is sourced from PubChem (CID 67901304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).