(Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine

C24H21N3O4 — CID 14536465

IUPAC(Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine
SMILESC=CCN(c1ccncc1)n1c2ccccc2c2ccccc21.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H17N3.C4H4O4/c1-2-15-22(16-11-13-21-14-12-16)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23;5-3(6)1-2-4(7)8/h2-14H,1,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyQTQSJMVNOBOHAP-BTJKTKAUSA-N
MW415.45 g/mol
LogP4.36
Rot. Bonds6

About (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine

(Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine (PubChem CID 14536465) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine
PubChem CID14536465
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name(Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine
SMILESC=CCN(c1ccncc1)n1c2ccccc2c2ccccc21.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H17N3.C4H4O4/c1-2-15-22(16-11-13-21-14-12-16)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23;5-3(6)1-2-4(7)8/h2-14H,1,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyQTQSJMVNOBOHAP-BTJKTKAUSA-N
XLogP4.36
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;N-ethyl-N-pyridin-4-ylcarbazol-9-amine
CID 67901304
(Z)-but-2-enedioic acid;3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine
CID 70145577
but-2-enedioic acid;bis(pyridine)
CID 173055227
(E)-4-oxo-4-[prop-2-enyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 39349109
but-2-enedioic acid;N-pyridin-4-ylindol-1-amine
CID 57346992
azepin-4-one;(Z)-but-2-enedioic acid
CID 162312331
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
(E)-but-2-enedioic acid;N,N-diphenylaniline
CID 139301590
[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
CID 70413591
but-2-enedioic acid;isoquinoline
CID 66628488
N-phenyl-N-pyridin-4-yl-17-azahexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaen-17-amine
CID 121432128
(Z)-but-2-enedioic acid;styrene
CID 67731875

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine?
The IUPAC name of (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine (CID 14536465) is (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine.
What is the SMILES notation for (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine?
The canonical SMILES for (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine is C=CCN(c1ccncc1)n1c2ccccc2c2ccccc21.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine?
The InChIKey is QTQSJMVNOBOHAP-BTJKTKAUSA-N. The full InChI is InChI=1S/C20H17N3.C4H4O4/c1-2-15-22(16-11-13-21-14-12-16)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23;5-3(6)1-2-4(7)8/h2-14H,1,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine?
(Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine has a molecular weight of 415.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;N-prop-2-enyl-N-pyridin-4-ylcarbazol-9-amine is sourced from PubChem (CID 14536465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).