cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide

C20H23N3O2 — CID 97081544

IUPACcis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20(18-13-17(18)15-5-2-1-3-6-15)22-14-16-7-4-8-21-19(16)23-9-11-25-12-10-23/h1-8,17-18H,9-14H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyLWMJGFZREYJZNJ-ROUUACIJSA-N
MW337.42 g/mol
LogP2.34
Rot. Bonds5

About cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 97081544) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID97081544
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namecis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20(18-13-17(18)15-5-2-1-3-6-15)22-14-16-7-4-8-21-19(16)23-9-11-25-12-10-23/h1-8,17-18H,9-14H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyLWMJGFZREYJZNJ-ROUUACIJSA-N
XLogP2.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847187
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 46598669
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219
(3R)-1-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39568663
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 38543627
1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 55609235
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
N-[1-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46580682

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 97081544) is cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCc1cccnc1N1CCOCC1)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LWMJGFZREYJZNJ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(18-13-17(18)15-5-2-1-3-6-15)22-14-16-7-4-8-21-19(16)23-9-11-25-12-10-23/h1-8,17-18H,9-14H2,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 97081544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).