4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide

C9H9N5O — CID 43642564

IUPAC4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C9H9N5O/c10-1-3-14(4-2-11)9(15)8-5-7(12)6-13-8/h5-6,13H,3-4,12H2
InChIKeyRNXZGAKTUYMNQD-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.09
Rot. Bonds3

About 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide

4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide (PubChem CID 43642564) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide
PubChem CID43642564
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C9H9N5O/c10-1-3-14(4-2-11)9(15)8-5-7(12)6-13-8/h5-6,13H,3-4,12H2
InChIKeyRNXZGAKTUYMNQD-UHFFFAOYSA-N
XLogP0.09
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N,N-bis(cyanomethyl)-1H-indole-3-carboxamide
CID 61090071
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61114256
4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 61107667
4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
4-amino-3,5-dichloro-N,N-bis(cyanomethyl)benzamide
CID 82833195
4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide
CID 43642543
5-amino-N,N-bis(cyanomethyl)-1H-indazole-3-carboxamide
CID 54944392
4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43642182
4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43641987
1-N,1-N,3-N,3-N-tetrakis(cyanomethyl)benzene-1,3-dicarboxamide
CID 668910
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61107986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide (CID 43642564) is 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide is N#CCN(CC#N)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RNXZGAKTUYMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-1-3-14(4-2-11)9(15)8-5-7(12)6-13-8/h5-6,13H,3-4,12H2.
What are the key properties of 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide?
4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).