N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide

C18H19N5O3 — CID 11256709

IUPACN-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c[nH]c(/C(C)=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1
InChIInChI=1S/C18H19N5O3/c1-9(15-5-11(8-21-15)7-20-10(2)24)16-13-6-12(22-18(19)26)3-4-14(13)23-17(16)25/h3-6,8,21H,7H2,1-2H3,(H,20,24)(H,23,25)(H3,19,22,26)/b16-9-
InChIKeyLOQFJHOTUSHCJC-SXGWCWSVSA-N
MW353.38 g/mol
LogP2.02
Rot. Bonds4

About N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide

N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide (PubChem CID 11256709) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide
PubChem CID11256709
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c[nH]c(/C(C)=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1
InChIInChI=1S/C18H19N5O3/c1-9(15-5-11(8-21-15)7-20-10(2)24)16-13-6-12(22-18(19)26)3-4-14(13)23-17(16)25/h3-6,8,21H,7H2,1-2H3,(H,20,24)(H,23,25)(H3,19,22,26)/b16-9-
InChIKeyLOQFJHOTUSHCJC-SXGWCWSVSA-N
XLogP2.02
TPSA129.11 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide
CID 131007
Gnf-5837
CID 59397065
Arcyriarubin A
CID 2399
BX-517
CID 11161844
N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-5-yl]acetamide
CID 11323104
Bisindolylmaleimide III
CID 2398
Bisindolylmaleimide V
CID 2400
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109
3-(5-amino-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327672
3-Substituted indolin-2-one 9a
CID 5329134
3-(1H-indol-3-yl)-4-{1-[3-(methylamino)propyl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5330713

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide (CID 11256709) is N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide is CC(=O)NCc1c[nH]c(/C(C)=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1.
What is the InChIKey of N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
The InChIKey is LOQFJHOTUSHCJC-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-9(15-5-11(8-21-15)7-20-10(2)24)16-13-6-12(22-18(19)26)3-4-14(13)23-17(16)25/h3-6,8,21H,7H2,1-2H3,(H,20,24)(H,23,25)(H3,19,22,26)/b16-9-.
What are the key properties of N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide is sourced from PubChem (CID 11256709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).