4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide

C10H18N6O — CID 70121205

IUPAC4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
SMILESCN1NC1NCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H18N6O/c1-15-6-7(11)5-8(15)9(17)12-3-4-13-10-14-16(10)2/h5-6,10,13-14H,3-4,11H2,1-2H3,(H,12,17)
InChIKeyRTAYEPJDILUJTP-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.34
Rot. Bonds5

About 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide

4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide (PubChem CID 70121205) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
PubChem CID70121205
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
SMILESCN1NC1NCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C10H18N6O/c1-15-6-7(11)5-8(15)9(17)12-3-4-13-10-14-16(10)2/h5-6,10,13-14H,3-4,11H2,1-2H3,(H,12,17)
InChIKeyRTAYEPJDILUJTP-UHFFFAOYSA-N
XLogP-1.34
TPSA97.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide;dihydrochloride
CID 70121204
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945
4-amino-N-[5-[[5-[2-(carbamoylamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 142066067
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide (CID 70121205) is 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide is CN1NC1NCCNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide?
The InChIKey is RTAYEPJDILUJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-15-6-7(11)5-8(15)9(17)12-3-4-13-10-14-16(10)2/h5-6,10,13-14H,3-4,11H2,1-2H3,(H,12,17).
What are the key properties of 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide?
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 70121205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).