4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide

C12H19N5O2 — CID 61139010

IUPAC4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H19N5O2/c1-2-14-12(19)17-5-3-16(4-6-17)11(18)10-7-9(13)8-15-10/h7-8,15H,2-6,13H2,1H3,(H,14,19)
InChIKeyIGUBTEWCVHGUNB-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.08
Rot. Bonds2

About 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide

4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 61139010) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
PubChem CID61139010
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H19N5O2/c1-2-14-12(19)17-5-3-16(4-6-17)11(18)10-7-9(13)8-15-10/h7-8,15H,2-6,13H2,1H3,(H,14,19)
InChIKeyIGUBTEWCVHGUNB-UHFFFAOYSA-N
XLogP0.08
TPSA94.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604483
2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 61110354
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 61110949
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
CID 63004263

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide (CID 61139010) is 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cc(N)c[nH]2)CC1.
What is the InChIKey of 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is IGUBTEWCVHGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-14-12(19)17-5-3-16(4-6-17)11(18)10-7-9(13)8-15-10/h7-8,15H,2-6,13H2,1H3,(H,14,19).
What are the key properties of 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide?
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 61139010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).