1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide

C16H12Cl2N4O — CID 86688674

IUPAC1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide
SMILESNC(=O)c1cn(-c2cc(N)ncc2Cl)cc1-c1ccccc1Cl
InChIInChI=1S/C16H12Cl2N4O/c17-12-4-2-1-3-9(12)10-7-22(8-11(10)16(20)23)14-5-15(19)21-6-13(14)18/h1-8H,(H2,19,21)(H2,20,23)
InChIKeyILJLFJIXTREOOO-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide

1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide (PubChem CID 86688674) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide
PubChem CID86688674
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide
SMILESNC(=O)c1cn(-c2cc(N)ncc2Cl)cc1-c1ccccc1Cl
InChIInChI=1S/C16H12Cl2N4O/c17-12-4-2-1-3-9(12)10-7-22(8-11(10)16(20)23)14-5-15(19)21-6-13(14)18/h1-8H,(H2,19,21)(H2,20,23)
InChIKeyILJLFJIXTREOOO-UHFFFAOYSA-N
XLogP3.53
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide (CID 86688674) is 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide is NC(=O)c1cn(-c2cc(N)ncc2Cl)cc1-c1ccccc1Cl.
What is the InChIKey of 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide?
The InChIKey is ILJLFJIXTREOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-12-4-2-1-3-9(12)10-7-22(8-11(10)16(20)23)14-5-15(19)21-6-13(14)18/h1-8H,(H2,19,21)(H2,20,23).
What are the key properties of 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide?
1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 86688674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).