6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine

C23H31ClFN5O — CID 163789783

IUPAC6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESNC1CCC(CNc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(F)cn2)CC1
InChIInChI=1S/C23H31ClFN5O/c24-19-5-6-21(27-13-16-7-9-31-10-8-16)30-23(19)18-11-22(29-14-20(18)25)28-12-15-1-3-17(26)4-2-15/h5-6,11,14-17H,1-4,7-10,12-13,26H2,(H,27,30)(H,28,29)
InChIKeyMVRDQTWZTBPSMY-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.70
Rot. Bonds7

About 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine

6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 163789783) has the molecular formula C23H31ClFN5O and a molecular weight of 447.99 g/mol. Its IUPAC name is 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID163789783
Molecular FormulaC23H31ClFN5O
Molecular Weight447.99 g/mol
Exact Mass447.22
IUPAC Name6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESNC1CCC(CNc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(F)cn2)CC1
InChIInChI=1S/C23H31ClFN5O/c24-19-5-6-21(27-13-16-7-9-31-10-8-16)30-23(19)18-11-22(29-14-20(18)25)28-12-15-1-3-17(26)4-2-15/h5-6,11,14-17H,1-4,7-10,12-13,26H2,(H,27,30)(H,28,29)
InChIKeyMVRDQTWZTBPSMY-UHFFFAOYSA-N
XLogP4.70
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]ethanol
CID 50907646
5-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043295
1-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine
CID 50905094
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3,5-dichloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127135
6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 141285797
N-[(4-aminocyclohexyl)methyl]-5-fluoropyridin-2-amine
CID 106128725
N-[5-chloro-4-[3-methyl-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]formamide
CID 88963301
5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127178
N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine
CID 114147330
6-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 53410289
5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 83265643
4-N-[5-chloro-4-[6-methyl-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67641396

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 163789783) is 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine is NC1CCC(CNc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(F)cn2)CC1.
What is the InChIKey of 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is MVRDQTWZTBPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClFN5O/c24-19-5-6-21(27-13-16-7-9-31-10-8-16)30-23(19)18-11-22(29-14-20(18)25)28-12-15-1-3-17(26)4-2-15/h5-6,11,14-17H,1-4,7-10,12-13,26H2,(H,27,30)(H,28,29).
What are the key properties of 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 447.99 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 163789783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).