2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide

C18H19N3O — CID 133375536

IUPAC2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC1C2Cc3ccccc3C12
InChIInChI=1S/C18H19N3O/c1-19-18(22)13-7-4-8-20-17(13)21-10-15-14-9-11-5-2-3-6-12(11)16(14)15/h2-8,14-16H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyXJFSDWQWNYFOTE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.44
Rot. Bonds4

About 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide

2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide (PubChem CID 133375536) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide
PubChem CID133375536
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC1C2Cc3ccccc3C12
InChIInChI=1S/C18H19N3O/c1-19-18(22)13-7-4-8-20-17(13)21-10-15-14-9-11-5-2-3-6-12(11)16(14)15/h2-8,14-16H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyXJFSDWQWNYFOTE-UHFFFAOYSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide (CID 133375536) is 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCC1C2Cc3ccccc3C12.
What is the InChIKey of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is XJFSDWQWNYFOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-19-18(22)13-7-4-8-20-17(13)21-10-15-14-9-11-5-2-3-6-12(11)16(14)15/h2-8,14-16H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide?
2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133375536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).