N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine

C17H20FN3O — CID 100642321

IUPACN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCc1ccnc(OC2CCCCC2)c1
InChIInChI=1S/C17H20FN3O/c18-15-7-4-9-20-17(15)21-12-13-8-10-19-16(11-13)22-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,20,21)
InChIKeyRDAPTCCMGZSEFG-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.94
Rot. Bonds5

About N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine (PubChem CID 100642321) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine
PubChem CID100642321
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCc1ccnc(OC2CCCCC2)c1
InChIInChI=1S/C17H20FN3O/c18-15-7-4-9-20-17(15)21-12-13-8-10-19-16(11-13)22-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,20,21)
InChIKeyRDAPTCCMGZSEFG-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442121
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970752
2-cyclobutyloxy-4-ethylpyridine
CID 118553785
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
4-[(2-cyclohexyloxy-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 122030855
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 22249252

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine (CID 100642321) is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine is Fc1cccnc1NCc1ccnc(OC2CCCCC2)c1.
What is the InChIKey of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is RDAPTCCMGZSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-7-4-9-20-17(15)21-12-13-8-10-19-16(11-13)22-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,20,21).
What are the key properties of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine?
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 301.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 100642321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).