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

C22H22ClF2N5 — CID 70793950

IUPAC5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine
SMILESFc1cc(F)cc(CNc2cccc(-c3cc(N[C@H]4CCCNC4)ncc3Cl)n2)c1
InChIInChI=1S/C22H22ClF2N5/c23-19-13-28-22(29-17-3-2-6-26-12-17)10-18(19)20-4-1-5-21(30-20)27-11-14-7-15(24)9-16(25)8-14/h1,4-5,7-10,13,17,26H,2-3,6,11-12H2,(H,27,30)(H,28,29)/t17-/m0/s1
InChIKeyGVIAXNCAIPTPFV-KRWDZBQOSA-N
MW429.90 g/mol
LogP4.85
Rot. Bonds6

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

5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine (PubChem CID 70793950) has the molecular formula C22H22ClF2N5 and a molecular weight of 429.90 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine
PubChem CID70793950
Molecular FormulaC22H22ClF2N5
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine
SMILESFc1cc(F)cc(CNc2cccc(-c3cc(N[C@H]4CCCNC4)ncc3Cl)n2)c1
InChIInChI=1S/C22H22ClF2N5/c23-19-13-28-22(29-17-3-2-6-26-12-17)10-18(19)20-4-1-5-21(30-20)27-11-14-7-15(24)9-16(25)8-14/h1,4-5,7-10,13,17,26H,2-3,6,11-12H2,(H,27,30)(H,28,29)/t17-/m0/s1
InChIKeyGVIAXNCAIPTPFV-KRWDZBQOSA-N
XLogP4.85
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine (CID 70793950) is 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine is Fc1cc(F)cc(CNc2cccc(-c3cc(N[C@H]4CCCNC4)ncc3Cl)n2)c1.
What is the InChIKey of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?
The InChIKey is GVIAXNCAIPTPFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22ClF2N5/c23-19-13-28-22(29-17-3-2-6-26-12-17)10-18(19)20-4-1-5-21(30-20)27-11-14-7-15(24)9-16(25)8-14/h1,4-5,7-10,13,17,26H,2-3,6,11-12H2,(H,27,30)(H,28,29)/t17-/m0/s1.
What are the key properties of 5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?
5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine has a molecular weight of 429.90 g/mol, XLogP of 4.85, 6 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-[(3S)-piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 70793950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).