5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine

C23H24ClF2N5 — CID 70795260

IUPAC5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESFc1cc(F)cc(CNc2cccc(-c3cc(NCC4CCCNC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H24ClF2N5/c24-20-14-30-23(29-12-15-3-2-6-27-11-15)10-19(20)21-4-1-5-22(31-21)28-13-16-7-17(25)9-18(26)8-16/h1,4-5,7-10,14-15,27H,2-3,6,11-13H2,(H,28,31)(H,29,30)
InChIKeyZMJSTWFHDMRBAK-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.10
Rot. Bonds7

About 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine

5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine (PubChem CID 70795260) has the molecular formula C23H24ClF2N5 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
PubChem CID70795260
Molecular FormulaC23H24ClF2N5
Molecular Weight443.93 g/mol
Exact Mass443.17
IUPAC Name5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESFc1cc(F)cc(CNc2cccc(-c3cc(NCC4CCCNC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H24ClF2N5/c24-20-14-30-23(29-12-15-3-2-6-27-11-15)10-19(20)21-4-1-5-22(31-21)28-13-16-7-17(25)9-18(26)8-16/h1,4-5,7-10,14-15,27H,2-3,6,11-13H2,(H,28,31)(H,29,30)
InChIKeyZMJSTWFHDMRBAK-UHFFFAOYSA-N
XLogP5.10
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 77201397
5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
CID 70793949
(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67221821
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052
N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 77242911
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70793963
6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
cis-(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66936933
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 77460758
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380
4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]-N-methylcyclohexane-1-carboxamide
CID 70793954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine (CID 70795260) is 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine is Fc1cc(F)cc(CNc2cccc(-c3cc(NCC4CCCNC4)ncc3Cl)n2)c1.
What is the InChIKey of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is ZMJSTWFHDMRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5/c24-20-14-30-23(29-12-15-3-2-6-27-11-15)10-19(20)21-4-1-5-22(31-21)28-13-16-7-17(25)9-18(26)8-16/h1,4-5,7-10,14-15,27H,2-3,6,11-13H2,(H,28,31)(H,29,30).
What are the key properties of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine?
5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 443.93 g/mol, XLogP of 5.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 70795260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).