(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane

C20H32N4O — CID 142971343

IUPAC(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane
SMILESC/C=C(\C)NCCNC(=O)c1cc2ccncc2[nH]1.C/C=C\C.CC
InChIInChI=1S/C14H18N4O.C4H8.C2H6/c1-3-10(2)16-6-7-17-14(19)12-8-11-4-5-15-9-13(11)18-12;1-3-4-2;1-2/h3-5,8-9,16,18H,6-7H2,1-2H3,(H,17,19);3-4H,1-2H3;1-2H3/b10-3+;4-3-;
InChIKeyONZJHBPHOLPMPY-VDIAZQLHSA-N
MW344.50 g/mol
LogP4.41
Rot. Bonds5

About (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane

(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane (PubChem CID 142971343) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane
PubChem CID142971343
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane
SMILESC/C=C(\C)NCCNC(=O)c1cc2ccncc2[nH]1.C/C=C\C.CC
InChIInChI=1S/C14H18N4O.C4H8.C2H6/c1-3-10(2)16-6-7-17-14(19)12-8-11-4-5-15-9-13(11)18-12;1-3-4-2;1-2/h3-5,8-9,16,18H,6-7H2,1-2H3,(H,17,19);3-4H,1-2H3;1-2H3/b10-3+;4-3-;
InChIKeyONZJHBPHOLPMPY-VDIAZQLHSA-N
XLogP4.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 25132327
N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
1H-pyrrolo[2,3-c]pyridine-2-carbothioamide
CID 91621771
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
propan-2-yl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 135395771
6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71010276
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
methyl N-[2-[[phenyl(1H-pyrrolo[2,3-c]pyridin-2-yl)methylidene]amino]oxyethyl]carbamate
CID 140524436

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane?
The IUPAC name of (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane (CID 142971343) is (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane.
What is the SMILES notation for (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane?
The canonical SMILES for (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane is C/C=C(\C)NCCNC(=O)c1cc2ccncc2[nH]1.C/C=C\C.CC.
What is the InChIKey of (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane?
The InChIKey is ONZJHBPHOLPMPY-VDIAZQLHSA-N. The full InChI is InChI=1S/C14H18N4O.C4H8.C2H6/c1-3-10(2)16-6-7-17-14(19)12-8-11-4-5-15-9-13(11)18-12;1-3-4-2;1-2/h3-5,8-9,16,18H,6-7H2,1-2H3,(H,17,19);3-4H,1-2H3;1-2H3/b10-3+;4-3-;.
What are the key properties of (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane?
(Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane has a molecular weight of 344.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;N-[2-[[(E)-but-2-en-2-yl]amino]ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 142971343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).