4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide

C12H13ClN4O — CID 43643180

IUPAC4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H13ClN4O/c1-2-17-7-9(14)5-10(17)12(18)16-11-4-3-8(13)6-15-11/h3-7H,2,14H2,1H3,(H,15,16,18)
InChIKeyLVXMDMULBOKKQQ-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.39
Rot. Bonds3

About 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 43643180) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
PubChem CID43643180
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H13ClN4O/c1-2-17-7-9(14)5-10(17)12(18)16-11-4-3-8(13)6-15-11/h3-7H,2,14H2,1H3,(H,15,16,18)
InChIKeyLVXMDMULBOKKQQ-UHFFFAOYSA-N
XLogP2.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide
CID 116794605
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrrole-2-carboxamide
CID 43643038
N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 61111186
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
CID 62847324
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)-2,5-diethylbenzamide
CID 70908062
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide (CID 43643180) is 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is LVXMDMULBOKKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-17-7-9(14)5-10(17)12(18)16-11-4-3-8(13)6-15-11/h3-7H,2,14H2,1H3,(H,15,16,18).
What are the key properties of 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43643180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).