trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide

C21H25N3O2 — CID 138034933

IUPACtrans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C21H25N3O2/c1-15-5-2-3-7-17(15)18-13-19(18)21(25)23-20-8-4-6-16(22-20)14-24-9-11-26-12-10-24/h2-8,18-19H,9-14H2,1H3,(H,22,23,25)/t18-,19+/m0/s1
InChIKeyZHMYZRDPKCBWDA-RBUKOAKNSA-N
MW351.45 g/mol
LogP2.96
Rot. Bonds5

About trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 138034933) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID138034933
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Nametrans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CN2CCOCC2)n1
InChIInChI=1S/C21H25N3O2/c1-15-5-2-3-7-17(15)18-13-19(18)21(25)23-20-8-4-6-16(22-20)14-24-9-11-26-12-10-24/h2-8,18-19H,9-14H2,1H3,(H,22,23,25)/t18-,19+/m0/s1
InChIKeyZHMYZRDPKCBWDA-RBUKOAKNSA-N
XLogP2.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619
N-methyl-6-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 79231761
3-(3-methoxyphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide
CID 75470653
cis-(1R,2S)-N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 51699063
[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
CID 79231202
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 79231488
2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55477948
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 138034933) is trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide is Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CN2CCOCC2)n1.
What is the InChIKey of trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is ZHMYZRDPKCBWDA-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-5-2-3-7-17(15)18-13-19(18)21(25)23-20-8-4-6-16(22-20)14-24-9-11-26-12-10-24/h2-8,18-19H,9-14H2,1H3,(H,22,23,25)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138034933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).