N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide

C20H24ClN3O2 — CID 67291616

IUPACN-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide
SMILESCc1c(Cl)cccc1Oc1cccnc1C1(NNC=O)CCCCCC1
InChIInChI=1S/C20H24ClN3O2/c1-15-16(21)8-6-9-17(15)26-18-10-7-13-22-19(18)20(24-23-14-25)11-4-2-3-5-12-20/h6-10,13-14,24H,2-5,11-12H2,1H3,(H,23,25)
InChIKeyOTHDHSMBMZGRSW-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.64
Rot. Bonds6

About N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide

N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide (PubChem CID 67291616) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide.

Molecular Properties

Compound NameN-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide
PubChem CID67291616
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide
SMILESCc1c(Cl)cccc1Oc1cccnc1C1(NNC=O)CCCCCC1
InChIInChI=1S/C20H24ClN3O2/c1-15-16(21)8-6-9-17(15)26-18-10-7-13-22-19(18)20(24-23-14-25)11-4-2-3-5-12-20/h6-10,13-14,24H,2-5,11-12H2,1H3,(H,23,25)
InChIKeyOTHDHSMBMZGRSW-UHFFFAOYSA-N
XLogP4.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2-Chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)pyridin-3-amine
CID 178141581
N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79775545
N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79776086
N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781861
N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782087
N-[[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782115
N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782547
1-[5-[(2-Chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79790836
1-[5-[(2-Chloro-4-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79791052
1-[5-[(2-Chloro-4-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 79796249
1-[5-[(2-Chloro-6-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 79799715
N-[[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 102615252

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide?
The IUPAC name of N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide (CID 67291616) is N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide.
What is the SMILES notation for N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide?
The canonical SMILES for N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide is Cc1c(Cl)cccc1Oc1cccnc1C1(NNC=O)CCCCCC1.
What is the InChIKey of N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide?
The InChIKey is OTHDHSMBMZGRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15-16(21)8-6-9-17(15)26-18-10-7-13-22-19(18)20(24-23-14-25)11-4-2-3-5-12-20/h6-10,13-14,24H,2-5,11-12H2,1H3,(H,23,25).
What are the key properties of N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide?
N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide has a molecular weight of 373.88 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3-chloro-2-methylphenoxy)-2-pyridinyl]cycloheptyl]amino]formamide is sourced from PubChem (CID 67291616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).