1-methylpyrrol-2-amine;pyridine-2-carboxamide

C11H14N4O — CID 174903535

IUPAC1-methylpyrrol-2-amine;pyridine-2-carboxamide
SMILESCn1cccc1N.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C5H8N2/c7-6(9)5-3-1-2-4-8-5;1-7-4-2-3-5(7)6/h1-4H,(H2,7,9);2-4H,6H2,1H3
InChIKeyHSCOKJGHLZMXBK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds1

About 1-methylpyrrol-2-amine;pyridine-2-carboxamide

1-methylpyrrol-2-amine;pyridine-2-carboxamide (PubChem CID 174903535) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methylpyrrol-2-amine;pyridine-2-carboxamide.

Molecular Properties

Compound Name1-methylpyrrol-2-amine;pyridine-2-carboxamide
PubChem CID174903535
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-methylpyrrol-2-amine;pyridine-2-carboxamide
SMILESCn1cccc1N.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C5H8N2/c7-6(9)5-3-1-2-4-8-5;1-7-4-2-3-5(7)6/h1-4H,(H2,7,9);2-4H,6H2,1H3
InChIKeyHSCOKJGHLZMXBK-UHFFFAOYSA-N
XLogP0.79
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrol-2-amine;pyridine-2-carboxamide?
The IUPAC name of 1-methylpyrrol-2-amine;pyridine-2-carboxamide (CID 174903535) is 1-methylpyrrol-2-amine;pyridine-2-carboxamide.
What is the SMILES notation for 1-methylpyrrol-2-amine;pyridine-2-carboxamide?
The canonical SMILES for 1-methylpyrrol-2-amine;pyridine-2-carboxamide is Cn1cccc1N.NC(=O)c1ccccn1.
What is the InChIKey of 1-methylpyrrol-2-amine;pyridine-2-carboxamide?
The InChIKey is HSCOKJGHLZMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C5H8N2/c7-6(9)5-3-1-2-4-8-5;1-7-4-2-3-5(7)6/h1-4H,(H2,7,9);2-4H,6H2,1H3.
What are the key properties of 1-methylpyrrol-2-amine;pyridine-2-carboxamide?
1-methylpyrrol-2-amine;pyridine-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrol-2-amine;pyridine-2-carboxamide is sourced from PubChem (CID 174903535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).