5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine

C23H30Cl2N4O — CID 148553276

IUPAC5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESNC1CCC(Cc2cc(-c3cnc(Cl)c(NCC4CCOCC4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C23H30Cl2N4O/c24-21-14-27-19(9-15-1-3-18(26)4-2-15)11-20(21)17-10-22(23(25)29-13-17)28-12-16-5-7-30-8-6-16/h10-11,13-16,18,28H,1-9,12,26H2
InChIKeyMTOQAEHQPMOHNM-UHFFFAOYSA-N
MW449.43 g/mol
LogP5.35
Rot. Bonds6

About 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine

5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine (PubChem CID 148553276) has the molecular formula C23H30Cl2N4O and a molecular weight of 449.43 g/mol. Its IUPAC name is 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine
PubChem CID148553276
Molecular FormulaC23H30Cl2N4O
Molecular Weight449.43 g/mol
Exact Mass448.18
IUPAC Name5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine
SMILESNC1CCC(Cc2cc(-c3cnc(Cl)c(NCC4CCOCC4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C23H30Cl2N4O/c24-21-14-27-19(9-15-1-3-18(26)4-2-15)11-20(21)17-10-22(23(25)29-13-17)28-12-16-5-7-30-8-6-16/h10-11,13-16,18,28H,1-9,12,26H2
InChIKeyMTOQAEHQPMOHNM-UHFFFAOYSA-N
XLogP5.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.43
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3,5-dichloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127135
4-N-[5-chloro-4-[6-methyl-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67641396
5-[5-chloro-2-[[4-(2-methoxyethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(cyclopropylmethyl)-2-fluoropyridin-3-amine
CID 161131940
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
4-N-[5-chloro-4-[2-chloro-4-ethyl-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123771166
6-[5-chloro-2-[[4-(oxetan-2-ylmethylamino)cyclohexyl]methyl]-4-pyridinyl]-3-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127137
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxan-4-ol
CID 161020079
(2R)-3-[[4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 58127082
6-[5-chloro-2-[[4-[2-methoxyethyl(methyl)amino]cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127168
4-[[5-chloro-4-[4-chloro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 67694551
5-chloro-6-[5-chloro-2-[[4-(2-methylsulfonylethylamino)cyclohexyl]methyl]-4-pyridinyl]-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127178
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-2-pyridinyl]amino]methyl]oxane-4-carbonitrile;methane
CID 161080184

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine (CID 148553276) is 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine is NC1CCC(Cc2cc(-c3cnc(Cl)c(NCC4CCOCC4)c3)c(Cl)cn2)CC1.
What is the InChIKey of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
The InChIKey is MTOQAEHQPMOHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4O/c24-21-14-27-19(9-15-1-3-18(26)4-2-15)11-20(21)17-10-22(23(25)29-13-17)28-12-16-5-7-30-8-6-16/h10-11,13-16,18,28H,1-9,12,26H2.
What are the key properties of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine?
5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine has a molecular weight of 449.43 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-chloro-N-(oxan-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 148553276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).