trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide

C14H21N3O — CID 95276765

IUPACtrans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCc1cn2c(n1)CCCC2
InChIInChI=1S/C14H21N3O/c1-10-8-12(10)14(18)15-6-5-11-9-17-7-3-2-4-13(17)16-11/h9-10,12H,2-8H2,1H3,(H,15,18)/t10-,12-/m1/s1
InChIKeySJCRIYXCMRYXRX-ZYHUDNBSSA-N
MW247.34 g/mol
LogP1.53
Rot. Bonds4

About trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 95276765) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID95276765
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Nametrans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCc1cn2c(n1)CCCC2
InChIInChI=1S/C14H21N3O/c1-10-8-12(10)14(18)15-6-5-11-9-17-7-3-2-4-13(17)16-11/h9-10,12H,2-8H2,1H3,(H,15,18)/t10-,12-/m1/s1
InChIKeySJCRIYXCMRYXRX-ZYHUDNBSSA-N
XLogP1.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide (CID 95276765) is trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NCCc1cn2c(n1)CCCC2.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SJCRIYXCMRYXRX-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-12(10)14(18)15-6-5-11-9-17-7-3-2-4-13(17)16-11/h9-10,12H,2-8H2,1H3,(H,15,18)/t10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95276765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).