1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid

C17H18N2O3 — CID 177349208

IUPAC1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CNc2ccc(C3(C(=O)O)CC3)cn2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-14-5-2-12(3-6-14)10-18-15-7-4-13(11-19-15)17(8-9-17)16(20)21/h2-7,11H,8-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyHLJSVZBMMDWXTK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.82
Rot. Bonds6

About 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid

1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 177349208) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID177349208
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CNc2ccc(C3(C(=O)O)CC3)cn2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-14-5-2-12(3-6-14)10-18-15-7-4-13(11-19-15)17(8-9-17)16(20)21/h2-7,11H,8-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyHLJSVZBMMDWXTK-UHFFFAOYSA-N
XLogP2.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206
[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20959729
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
N-[(4-methoxyphenyl)methyl]-5-(5-methylpyrimidin-2-yl)oxypyridin-2-amine
CID 158165887
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109157300

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid (CID 177349208) is 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid is COc1ccc(CNc2ccc(C3(C(=O)O)CC3)cn2)cc1.
What is the InChIKey of 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is HLJSVZBMMDWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-14-5-2-12(3-6-14)10-18-15-7-4-13(11-19-15)17(8-9-17)16(20)21/h2-7,11H,8-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid?
1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 177349208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).