6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine

C26H29ClF2N4O — CID 58127079

IUPAC6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESNCC1CCC(Cc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H29ClF2N4O/c27-23-16-31-20(11-17-7-9-18(14-30)10-8-17)13-22(23)24-5-2-6-25(33-24)32-15-19-3-1-4-21(12-19)34-26(28)29/h1-6,12-13,16-18,26H,7-11,14-15,30H2,(H,32,33)
InChIKeyRXVWWNZWUKMPPF-UHFFFAOYSA-N
MW486.99 g/mol
LogP6.32
Rot. Bonds9

About 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine

6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 58127079) has the molecular formula C26H29ClF2N4O and a molecular weight of 486.99 g/mol. Its IUPAC name is 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID58127079
Molecular FormulaC26H29ClF2N4O
Molecular Weight486.99 g/mol
Exact Mass486.20
IUPAC Name6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESNCC1CCC(Cc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H29ClF2N4O/c27-23-16-31-20(11-17-7-9-18(14-30)10-8-17)13-22(23)24-5-2-6-25(33-24)32-15-19-3-1-4-21(12-19)34-26(28)29/h1-6,12-13,16-18,26H,7-11,14-15,30H2,(H,32,33)
InChIKeyRXVWWNZWUKMPPF-UHFFFAOYSA-N
XLogP6.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.99
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine with MolForge

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Related Compounds

5-(3-Aminopropylamino)-7-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine
CID 10309119
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
[2-Methoxy-6-(3-methoxy-phenyl)-pyrimidin-4-yl]-(2-pyridin-3-yl-ethyl)-amine
CID 53317523
N-(trans-4-(aminomethyl)cyclohexyl)-5'-chloro-6-(3-fluorobenzyloxy)-2,4'-bipyridin-2'-amine
CID 66937029
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methoxy-2,4'-bipyridine-2',6-diamine
CID 66937200
4-N-[5-chloro-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405068
4-N-[5-chloro-4-[6-[(3-methoxyphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405073
3-[[[6-[2-[(4-Aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]phenol
CID 68405078
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405497
N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 68405504
4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 58127079) is 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine is NCC1CCC(Cc2cc(-c3cccc(NCc4cccc(OC(F)F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is RXVWWNZWUKMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF2N4O/c27-23-16-31-20(11-17-7-9-18(14-30)10-8-17)13-22(23)24-5-2-6-25(33-24)32-15-19-3-1-4-21(12-19)34-26(28)29/h1-6,12-13,16-18,26H,7-11,14-15,30H2,(H,32,33).
What are the key properties of 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine?
6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 486.99 g/mol, XLogP of 6.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 58127079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).