2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide

C20H23F2N5O2 — CID 170418557

IUPAC2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide
SMILESC/N=C(\C(=O)NC1CCNCC1(F)F)c1cc(OCc2ccccn2)ccc1N
InChIInChI=1S/C20H23F2N5O2/c1-24-18(19(28)27-17-7-9-25-12-20(17,21)22)15-10-14(5-6-16(15)23)29-11-13-4-2-3-8-26-13/h2-6,8,10,17,25H,7,9,11-12,23H2,1H3,(H,27,28)/b24-18-
InChIKeyBKLCZSUPMUEFGY-MOHJPFBDSA-N
MW403.43 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide

2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide (PubChem CID 170418557) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide.

Molecular Properties

Compound Name2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide
PubChem CID170418557
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC Name2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide
SMILESC/N=C(\C(=O)NC1CCNCC1(F)F)c1cc(OCc2ccccn2)ccc1N
InChIInChI=1S/C20H23F2N5O2/c1-24-18(19(28)27-17-7-9-25-12-20(17,21)22)15-10-14(5-6-16(15)23)29-11-13-4-2-3-8-26-13/h2-6,8,10,17,25H,7,9,11-12,23H2,1H3,(H,27,28)/b24-18-
InChIKeyBKLCZSUPMUEFGY-MOHJPFBDSA-N
XLogP1.78
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-phenylmethoxyphenyl)-N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2-methyliminoacetamide
CID 170602908
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
CID 170416750
CID 170602603
CID 170602603
2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid
CID 170602524
2-[2-amino-5-(cyclobutylmethoxy)phenyl]-N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyliminoacetamide
CID 170416827
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
CID 170602937
5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 163380717
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
(2R)-2-[[2-[2-amino-5-(cyclopropylmethoxy)phenyl]-2-methyliminoacetyl]amino]-3-hydroxypropanamide
CID 170418061
2-[2-amino-5-[(2-fluorophenyl)methoxy]phenyl]-N-[2-formyl-1-hydroxy-4-(methylamino)butan-2-yl]-2-methyliminoacetamide
CID 170602950

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide?
The IUPAC name of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide (CID 170418557) is 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide.
What is the SMILES notation for 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide?
The canonical SMILES for 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide is C/N=C(\C(=O)NC1CCNCC1(F)F)c1cc(OCc2ccccn2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide?
The InChIKey is BKLCZSUPMUEFGY-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c1-24-18(19(28)27-17-7-9-25-12-20(17,21)22)15-10-14(5-6-16(15)23)29-11-13-4-2-3-8-26-13/h2-6,8,10,17,25H,7,9,11-12,23H2,1H3,(H,27,28)/b24-18-.
What are the key properties of 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide?
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide has a molecular weight of 403.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide is sourced from PubChem (CID 170418557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).