N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide

C14H14ClN3O2 — CID 75435886

IUPACN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(Cl)c[nH]2)nc1C
InChIInChI=1S/C14H14ClN3O2/c1-8-12(9(2)19)4-3-11(18-8)7-17-14(20)13-5-10(15)6-16-13/h3-6,16H,7H2,1-2H3,(H,17,20)
InChIKeyDAUVZGYFJPSESY-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.50
Rot. Bonds4

About N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide

N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide (PubChem CID 75435886) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide
PubChem CID75435886
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(Cl)c[nH]2)nc1C
InChIInChI=1S/C14H14ClN3O2/c1-8-12(9(2)19)4-3-11(18-8)7-17-14(20)13-5-10(15)6-16-13/h3-6,16H,7H2,1-2H3,(H,17,20)
InChIKeyDAUVZGYFJPSESY-UHFFFAOYSA-N
XLogP2.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide (CID 75435886) is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide is CC(=O)c1ccc(CNC(=O)c2cc(Cl)c[nH]2)nc1C.
What is the InChIKey of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide?
The InChIKey is DAUVZGYFJPSESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-12(9(2)19)4-3-11(18-8)7-17-14(20)13-5-10(15)6-16-13/h3-6,16H,7H2,1-2H3,(H,17,20).
What are the key properties of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide?
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-4-chloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75435886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).