cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C21H20N2O3 — CID 95347863

IUPACcis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C([C@H]1C[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C21H20N2O3/c24-20-8-2-1-5-16(20)13-23(14-17-7-4-10-26-17)21(25)19-11-18(19)15-6-3-9-22-12-15/h1-10,12,18-19,24H,11,13-14H2/t18-,19-/m0/s1
InChIKeyPPOPCODETVKEFA-OALUTQOASA-N
MW348.40 g/mol
LogP3.71
Rot. Bonds6

About cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 95347863) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID95347863
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namecis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C([C@H]1C[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C21H20N2O3/c24-20-8-2-1-5-16(20)13-23(14-17-7-4-10-26-17)21(25)19-11-18(19)15-6-3-9-22-12-15/h1-10,12,18-19,24H,11,13-14H2/t18-,19-/m0/s1
InChIKeyPPOPCODETVKEFA-OALUTQOASA-N
XLogP3.71
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 3873675
2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 71876328
(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464
[4-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] methanesulfonate
CID 4277765
N-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 56783064
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120640268
cis-(1S,2R)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 93109865
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 95347863) is cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C([C@H]1C[C@H]1c1cccnc1)N(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is PPOPCODETVKEFA-OALUTQOASA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20-8-2-1-5-16(20)13-23(14-17-7-4-10-26-17)21(25)19-11-18(19)15-6-3-9-22-12-15/h1-10,12,18-19,24H,11,13-14H2/t18-,19-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 95347863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).