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

C18H20N6O3 — CID 11383042

IUPAC2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide
SMILESC/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CN)c[nH]1
InChIInChI=1S/C18H20N6O3/c1-9(14-4-10(7-21-14)8-22-15(25)6-19)16-12-5-11(23-18(20)27)2-3-13(12)24-17(16)26/h2-5,7,21H,6,8,19H2,1H3,(H,22,25)(H,24,26)(H3,20,23,27)/b16-9-
InChIKeyWIWPGJGLUKQUKV-SXGWCWSVSA-N
MW368.40 g/mol
LogP0.96
Rot. Bonds5

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

2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide (PubChem CID 11383042) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide
PubChem CID11383042
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide
SMILESC/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CN)c[nH]1
InChIInChI=1S/C18H20N6O3/c1-9(14-4-10(7-21-14)8-22-15(25)6-19)16-12-5-11(23-18(20)27)2-3-13(12)24-17(16)26/h2-5,7,21H,6,8,19H2,1H3,(H,22,25)(H,24,26)(H3,20,23,27)/b16-9-
InChIKeyWIWPGJGLUKQUKV-SXGWCWSVSA-N
XLogP0.96
TPSA155.13 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 50.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide (CID 11383042) is 2-amino-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 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide is C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CN)c[nH]1.
What is the InChIKey of 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
The InChIKey is WIWPGJGLUKQUKV-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-9(14-4-10(7-21-14)8-22-15(25)6-19)16-12-5-11(23-18(20)27)2-3-13(12)24-17(16)26/h2-5,7,21H,6,8,19H2,1H3,(H,22,25)(H,24,26)(H3,20,23,27)/b16-9-.
What are the key properties of 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide?
2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]acetamide is sourced from PubChem (CID 11383042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).