N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine

C24H26ClFN4O — CID 66937029

IUPACN-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine
SMILESNCC1CCC(Nc2cc(-c3cccc(OCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4O/c25-21-14-28-23(29-19-9-7-16(13-27)8-10-19)12-20(21)22-5-2-6-24(30-22)31-15-17-3-1-4-18(26)11-17/h1-6,11-12,14,16,19H,7-10,13,15,27H2,(H,28,29)
InChIKeyKITARBPGTZBVEL-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.44
Rot. Bonds7

About N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine

N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine (PubChem CID 66937029) has the molecular formula C24H26ClFN4O and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine
PubChem CID66937029
Molecular FormulaC24H26ClFN4O
Molecular Weight440.95 g/mol
Exact Mass440.18
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine
SMILESNCC1CCC(Nc2cc(-c3cccc(OCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4O/c25-21-14-28-23(29-19-9-7-16(13-27)8-10-19)12-20(21)22-5-2-6-24(30-22)31-15-17-3-1-4-18(26)11-17/h1-6,11-12,14,16,19H,7-10,13,15,27H2,(H,28,29)
InChIKeyKITARBPGTZBVEL-UHFFFAOYSA-N
XLogP5.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine (CID 66937029) is N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine is NCC1CCC(Nc2cc(-c3cccc(OCc4cccc(F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
The InChIKey is KITARBPGTZBVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O/c25-21-14-28-23(29-19-9-7-16(13-27)8-10-19)12-20(21)22-5-2-6-24(30-22)31-15-17-3-1-4-18(26)11-17/h1-6,11-12,14,16,19H,7-10,13,15,27H2,(H,28,29).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine has a molecular weight of 440.95 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 66937029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).