N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide

C16H18N4O — CID 90775642

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide
SMILESO=C(NC1CC2CCC1N2)n1ccc(-c2ccccn2)c1
InChIInChI=1S/C16H18N4O/c21-16(19-15-9-12-4-5-14(15)18-12)20-8-6-11(10-20)13-3-1-2-7-17-13/h1-3,6-8,10,12,14-15,18H,4-5,9H2,(H,19,21)
InChIKeyIWINRCYRNXADIF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.00
Rot. Bonds2

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide (PubChem CID 90775642) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide
PubChem CID90775642
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide
SMILESO=C(NC1CC2CCC1N2)n1ccc(-c2ccccn2)c1
InChIInChI=1S/C16H18N4O/c21-16(19-15-9-12-4-5-14(15)18-12)20-8-6-11(10-20)13-3-1-2-7-17-13/h1-3,6-8,10,12,14-15,18H,4-5,9H2,(H,19,21)
InChIKeyIWINRCYRNXADIF-UHFFFAOYSA-N
XLogP2.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide (CID 90775642) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide is O=C(NC1CC2CCC1N2)n1ccc(-c2ccccn2)c1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide?
The InChIKey is IWINRCYRNXADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(19-15-9-12-4-5-14(15)18-12)20-8-6-11(10-20)13-3-1-2-7-17-13/h1-3,6-8,10,12,14-15,18H,4-5,9H2,(H,19,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridin-2-ylpyrrole-1-carboxamide is sourced from PubChem (CID 90775642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).