N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine

C31H30FN3O2 — CID 156516024

IUPACN-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESCN1CC=C(c2ccc(Nc3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1
InChIInChI=1S/C31H30FN3O2/c1-35-18-16-25(17-19-35)27-13-12-26(20-28(27)32)33-29-14-15-30(36-21-23-8-4-2-5-9-23)34-31(29)37-22-24-10-6-3-7-11-24/h2-16,20,33H,17-19,21-22H2,1H3
InChIKeyHYIRPNURPNAIJY-UHFFFAOYSA-N
MW495.60 g/mol
LogP6.84
Rot. Bonds9

About N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine

N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine (PubChem CID 156516024) has the molecular formula C31H30FN3O2 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
PubChem CID156516024
Molecular FormulaC31H30FN3O2
Molecular Weight495.60 g/mol
Exact Mass495.23
IUPAC NameN-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine
SMILESCN1CC=C(c2ccc(Nc3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1
InChIInChI=1S/C31H30FN3O2/c1-35-18-16-25(17-19-35)27-13-12-26(20-28(27)32)33-29-14-15-30(36-21-23-8-4-2-5-9-23)34-31(29)37-22-24-10-6-3-7-11-24/h2-16,20,33H,17-19,21-22H2,1H3
InChIKeyHYIRPNURPNAIJY-UHFFFAOYSA-N
XLogP6.84
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The IUPAC name of N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine (CID 156516024) is N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine.
What is the SMILES notation for N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The canonical SMILES for N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine is CN1CC=C(c2ccc(Nc3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1.
What is the InChIKey of N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
The InChIKey is HYIRPNURPNAIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN3O2/c1-35-18-16-25(17-19-35)27-13-12-26(20-28(27)32)33-29-14-15-30(36-21-23-8-4-2-5-9-23)34-31(29)37-22-24-10-6-3-7-11-24/h2-16,20,33H,17-19,21-22H2,1H3.
What are the key properties of N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine?
N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine has a molecular weight of 495.60 g/mol, XLogP of 6.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,6-bis(phenylmethoxy)pyridin-3-amine is sourced from PubChem (CID 156516024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).