trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

C18H21N3O2 — CID 138008683

IUPACtrans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccncc1
InChIInChI=1S/C18H21N3O2/c1-11-8-12(2)21-18(23-3)16(11)10-20-17(22)15-9-14(15)13-4-6-19-7-5-13/h4-8,14-15H,9-10H2,1-3H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyFBRVXUJYCHRGGI-LSDHHAIUSA-N
MW311.39 g/mol
LogP2.52
Rot. Bonds5

About trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 138008683) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID138008683
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Nametrans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccncc1
InChIInChI=1S/C18H21N3O2/c1-11-8-12(2)21-18(23-3)16(11)10-20-17(22)15-9-14(15)13-4-6-19-7-5-13/h4-8,14-15H,9-10H2,1-3H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyFBRVXUJYCHRGGI-LSDHHAIUSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (CID 138008683) is trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is COc1nc(C)cc(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccncc1.
What is the InChIKey of trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is FBRVXUJYCHRGGI-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-8-12(2)21-18(23-3)16(11)10-20-17(22)15-9-14(15)13-4-6-19-7-5-13/h4-8,14-15H,9-10H2,1-3H3,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 138008683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).