N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide

C13H16N4O — CID 115274897

IUPACN-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCNc1ccc(N(C)C(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C13H16N4O/c1-3-14-12-7-6-10(9-16-12)17(2)13(18)11-5-4-8-15-11/h4-9,15H,3H2,1-2H3,(H,14,16)
InChIKeyJECQBGHYNWTITB-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.12
Rot. Bonds4

About N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide

N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 115274897) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID115274897
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCCNc1ccc(N(C)C(=O)c2ccc[nH]2)cn1
InChIInChI=1S/C13H16N4O/c1-3-14-12-7-6-10(9-16-12)17(2)13(18)11-5-4-8-15-11/h4-9,15H,3H2,1-2H3,(H,14,16)
InChIKeyJECQBGHYNWTITB-UHFFFAOYSA-N
XLogP2.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 115274897) is N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide is CCNc1ccc(N(C)C(=O)c2ccc[nH]2)cn1.
What is the InChIKey of N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is JECQBGHYNWTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-14-12-7-6-10(9-16-12)17(2)13(18)11-5-4-8-15-11/h4-9,15H,3H2,1-2H3,(H,14,16).
What are the key properties of N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide?
N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(ethylamino)-3-pyridinyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115274897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).