4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide

C11H18N6O — CID 139950289

IUPAC4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCCNC1=NCCN1
InChIInChI=1S/C11H18N6O/c1-17-7-8(12)6-9(17)10(18)13-2-3-14-11-15-4-5-16-11/h6-7H,2-5,12H2,1H3,(H,13,18)(H2,14,15,16)
InChIKeyALBGREPCCZUVKD-UHFFFAOYSA-N
MW250.31 g/mol
LogP-1.11
Rot. Bonds4

About 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 139950289) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID139950289
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCCNC1=NCCN1
InChIInChI=1S/C11H18N6O/c1-17-7-8(12)6-9(17)10(18)13-2-3-14-11-15-4-5-16-11/h6-7H,2-5,12H2,1H3,(H,13,18)(H2,14,15,16)
InChIKeyALBGREPCCZUVKD-UHFFFAOYSA-N
XLogP-1.11
TPSA96.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 54943729
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 70121205
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide;dihydrochloride
CID 70121204
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide
CID 10169480
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
4-amino-N-[5-[[5-[2-(carbamoylamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 142066067

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide (CID 139950289) is 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCCNC1=NCCN1.
What is the InChIKey of 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ALBGREPCCZUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-17-7-8(12)6-9(17)10(18)13-2-3-14-11-15-4-5-16-11/h6-7H,2-5,12H2,1H3,(H,13,18)(H2,14,15,16).
What are the key properties of 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 250.31 g/mol, XLogP of -1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 139950289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).