N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide

C21H25N3O2 — CID 11847032

IUPACN-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-14-12-19(24-8-10-26-11-9-24)22-15(2)20(14)23-21(25)18-13-17(18)16-6-4-3-5-7-16/h3-7,12,17-18H,8-11,13H2,1-2H3,(H,23,25)
InChIKeyMRNPWIWBKMYBTH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds4

About N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide

N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 11847032) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID11847032
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-14-12-19(24-8-10-26-11-9-24)22-15(2)20(14)23-21(25)18-13-17(18)16-6-4-3-5-7-16/h3-7,12,17-18H,8-11,13H2,1-2H3,(H,23,25)
InChIKeyMRNPWIWBKMYBTH-UHFFFAOYSA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide (CID 11847032) is N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide is Cc1cc(N2CCOCC2)nc(C)c1NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is MRNPWIWBKMYBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-12-19(24-8-10-26-11-9-24)22-15(2)20(14)23-21(25)18-13-17(18)16-6-4-3-5-7-16/h3-7,12,17-18H,8-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11847032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).