N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine

C14H16FN3 — CID 113447223

IUPACN-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccncc1F
InChIInChI=1S/C14H16FN3/c1-2-6-18-14(11-3-7-16-8-4-11)12-5-9-17-10-13(12)15/h3-5,7-10,14,18H,2,6H2,1H3
InChIKeyCALMEUCMSMPBKT-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.70
Rot. Bonds5

About N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine

N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 113447223) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID113447223
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccncc1F
InChIInChI=1S/C14H16FN3/c1-2-6-18-14(11-3-7-16-8-4-11)12-5-9-17-10-13(12)15/h3-5,7-10,14,18H,2,6H2,1H3
InChIKeyCALMEUCMSMPBKT-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[pyridin-4-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62963949
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038338
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114031712

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine (CID 113447223) is N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is CALMEUCMSMPBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-6-18-14(11-3-7-16-8-4-11)12-5-9-17-10-13(12)15/h3-5,7-10,14,18H,2,6H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 113447223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).