cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide

C19H20FN3O2 — CID 95307181

IUPACcis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n1
InChIInChI=1S/C19H20FN3O2/c1-12-5-3-8-17(21-12)22-18(24)11-23(2)19(25)16-10-15(16)13-6-4-7-14(20)9-13/h3-9,15-16H,10-11H2,1-2H3,(H,21,22,24)/t15-,16-/m1/s1
InChIKeyPXIWGUQYGBNGOQ-HZPDHXFCSA-N
MW341.39 g/mol
LogP2.73
Rot. Bonds5

About cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 95307181) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID95307181
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Namecis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n1
InChIInChI=1S/C19H20FN3O2/c1-12-5-3-8-17(21-12)22-18(24)11-23(2)19(25)16-10-15(16)13-6-4-7-14(20)9-13/h3-9,15-16H,10-11H2,1-2H3,(H,21,22,24)/t15-,16-/m1/s1
InChIKeyPXIWGUQYGBNGOQ-HZPDHXFCSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide (CID 95307181) is cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is PXIWGUQYGBNGOQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-5-3-8-17(21-12)22-18(24)11-23(2)19(25)16-10-15(16)13-6-4-7-14(20)9-13/h3-9,15-16H,10-11H2,1-2H3,(H,21,22,24)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95307181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).