(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide

C18H21F2N3O2 — CID 134371536

IUPAC(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
SMILESCC(C)Oc1ccc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C18H21F2N3O2/c1-11(2)25-17-5-4-15(10-22-17)23(3)18(24)16(21)8-12-6-13(19)9-14(20)7-12/h4-7,9-11,16H,8,21H2,1-3H3/t16-/m0/s1
InChIKeyUOXLVQYWDCMFPK-INIZCTEOSA-N
MW349.38 g/mol
LogP2.68
Rot. Bonds6

About (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide

(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide (PubChem CID 134371536) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
PubChem CID134371536
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide
SMILESCC(C)Oc1ccc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C18H21F2N3O2/c1-11(2)25-17-5-4-15(10-22-17)23(3)18(24)16(21)8-12-6-13(19)9-14(20)7-12/h4-7,9-11,16H,8,21H2,1-3H3/t16-/m0/s1
InChIKeyUOXLVQYWDCMFPK-INIZCTEOSA-N
XLogP2.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide (CID 134371536) is (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide is CC(C)Oc1ccc(N(C)C(=O)[C@@H](N)Cc2cc(F)cc(F)c2)cn1.
What is the InChIKey of (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
The InChIKey is UOXLVQYWDCMFPK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-11(2)25-17-5-4-15(10-22-17)23(3)18(24)16(21)8-12-6-13(19)9-14(20)7-12/h4-7,9-11,16H,8,21H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide?
(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide has a molecular weight of 349.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(6-propan-2-yloxy-3-pyridinyl)propanamide is sourced from PubChem (CID 134371536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).