4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide

C11H15N5O — CID 61213141

IUPAC4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCn1ccnc1CCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H15N5O/c1-16-5-4-13-10(16)2-3-14-11(17)9-6-8(12)7-15-9/h4-7,15H,2-3,12H2,1H3,(H,14,17)
InChIKeyOHNFPLONVLLRML-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.30
Rot. Bonds4

About 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide

4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 61213141) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID61213141
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCn1ccnc1CCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H15N5O/c1-16-5-4-13-10(16)2-3-14-11(17)9-6-8(12)7-15-9/h4-7,15H,2-3,12H2,1H3,(H,14,17)
InChIKeyOHNFPLONVLLRML-UHFFFAOYSA-N
XLogP0.30
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717832
4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 55034045
5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61214440
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62814568
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 65359190
4-(ethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62173804
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 61213141) is 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is Cn1ccnc1CCNC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OHNFPLONVLLRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-5-4-13-10(16)2-3-14-11(17)9-6-8(12)7-15-9/h4-7,15H,2-3,12H2,1H3,(H,14,17).
What are the key properties of 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 233.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).