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

C22H19N5O3 — CID 23647603

IUPACN-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIInChI=1S/C22H19N5O3/c1-12(28)25-15-4-2-3-13(7-15)14-8-17(24-11-14)10-19-18-9-16(26-22(23)30)5-6-20(18)27-21(19)29/h2-11,24H,1H3,(H,25,28)(H,27,29)(H3,23,26,30)/b19-10-
InChIKeyLELXPYUUIHYFLJ-GRSHGNNSSA-N
MW401.43 g/mol
LogP3.62
Rot. Bonds4

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

N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide (PubChem CID 23647603) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide
PubChem CID23647603
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1
InChIInChI=1S/C22H19N5O3/c1-12(28)25-15-4-2-3-13(7-15)14-8-17(24-11-14)10-19-18-9-16(26-22(23)30)5-6-20(18)27-21(19)29/h2-11,24H,1H3,(H,25,28)(H,27,29)(H3,23,26,30)/b19-10-
InChIKeyLELXPYUUIHYFLJ-GRSHGNNSSA-N
XLogP3.62
TPSA129.11 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.62
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
Indole-3-acetamide
CID 397
Bisindolylmaleimide VIII
CID 2403
Pf-06840003
CID 23063810
CP-409092
CID 9839190
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Su5402
CID 5289418
Gnf-5837
CID 59397065
Iron oxide, spent
CID 5327711
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Arcyriarubin A
CID 2399
Trisindoline
CID 2883607

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide (CID 23647603) is N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1.
What is the InChIKey of N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide?
The InChIKey is LELXPYUUIHYFLJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-12(28)25-15-4-2-3-13(7-15)14-8-17(24-11-14)10-19-18-9-16(26-22(23)30)5-6-20(18)27-21(19)29/h2-11,24H,1H3,(H,25,28)(H,27,29)(H3,23,26,30)/b19-10-.
What are the key properties of N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide?
N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide has a molecular weight of 401.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 23647603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).