trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H23N3O — CID 95145987

IUPACtrans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C
InChIInChI=1S/C18H23N3O/c1-11(2)8-14-16(18(14,4)5)17(22)20-13-6-7-15-19-12(3)9-21(15)10-13/h6-10,14,16H,1-5H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyALDVBXYHIHRBQN-GDBMZVCRSA-N
MW297.40 g/mol
LogP3.82
Rot. Bonds3

About trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 95145987) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID95145987
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Nametrans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C
InChIInChI=1S/C18H23N3O/c1-11(2)8-14-16(18(14,4)5)17(22)20-13-6-7-15-19-12(3)9-21(15)10-13/h6-10,14,16H,1-5H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyALDVBXYHIHRBQN-GDBMZVCRSA-N
XLogP3.82
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 95145987) is trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C.
What is the InChIKey of trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is ALDVBXYHIHRBQN-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11(2)8-14-16(18(14,4)5)17(22)20-13-6-7-15-19-12(3)9-21(15)10-13/h6-10,14,16H,1-5H3,(H,20,22)/t14-,16-/m1/s1.
What are the key properties of trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95145987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).