cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide

C24H28N2O3 — CID 129261149

IUPACcis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CC3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C24H28N2O3/c1-15-12-17(4-5-22(15)29-19-7-10-28-11-8-19)18-6-9-25-23(13-18)26-24(27)21-14-20(21)16-2-3-16/h4-6,9,12-13,16,19-21H,2-3,7-8,10-11,14H2,1H3,(H,25,26,27)/t20-,21+/m1/s1
InChIKeyVEKRWRSMBAKMLD-RTWAWAEBSA-N
MW392.50 g/mol
LogP4.60
Rot. Bonds6

About cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 129261149) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID129261149
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namecis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CC3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C24H28N2O3/c1-15-12-17(4-5-22(15)29-19-7-10-28-11-8-19)18-6-9-25-23(13-18)26-24(27)21-14-20(21)16-2-3-16/h4-6,9,12-13,16,19-21H,2-3,7-8,10-11,14H2,1H3,(H,25,26,27)/t20-,21+/m1/s1
InChIKeyVEKRWRSMBAKMLD-RTWAWAEBSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 129261149) is cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide is Cc1cc(-c2ccnc(NC(=O)[C@H]3C[C@@H]3C3CC3)c2)ccc1OC1CCOCC1.
What is the InChIKey of cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is VEKRWRSMBAKMLD-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-15-12-17(4-5-22(15)29-19-7-10-28-11-8-19)18-6-9-25-23(13-18)26-24(27)21-14-20(21)16-2-3-16/h4-6,9,12-13,16,19-21H,2-3,7-8,10-11,14H2,1H3,(H,25,26,27)/t20-,21+/m1/s1.
What are the key properties of cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-cyclopropyl-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129261149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).