N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide

C24H24FN5O3 — CID 68957090

IUPACN-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide
SMILESCOCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CN(C)C)c2)c(C#N)c(N)n1
InChIInChI=1S/C24H24FN5O3/c1-30(2)13-23(31)28-17-6-4-5-15(9-17)19-11-21(29-24(27)20(19)12-26)18-8-7-16(25)10-22(18)33-14-32-3/h4-11H,13-14H2,1-3H3,(H2,27,29)(H,28,31)
InChIKeyDEFKKXNYOOYGFR-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.49
Rot. Bonds8

About N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide

N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide (PubChem CID 68957090) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide
PubChem CID68957090
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide
SMILESCOCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CN(C)C)c2)c(C#N)c(N)n1
InChIInChI=1S/C24H24FN5O3/c1-30(2)13-23(31)28-17-6-4-5-15(9-17)19-11-21(29-24(27)20(19)12-26)18-8-7-16(25)10-22(18)33-14-32-3/h4-11H,13-14H2,1-3H3,(H2,27,29)(H,28,31)
InChIKeyDEFKKXNYOOYGFR-UHFFFAOYSA-N
XLogP3.49
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-[2-amino-3-cyano-6-[2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]methyliminomethylcarbamic acid
CID 69279537
3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-[(2-methoxybenzoyl)amino]-4-pyridinyl]benzoic acid
CID 68957967
N-[3-cyano-6-[4-methoxy-2-(methoxymethoxy)phenyl]-4-[3-(propanoylamino)phenyl]-2-pyridinyl]benzamide
CID 173154715
tert-butyl N-[3-[[3-[2-amino-3-cyano-6-[2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]methylamino]-3-oxopropyl]carbamate
CID 91043736
[3-[3-[6-[4-bromo-2-(methoxymethoxy)phenyl]-3-cyano-2-(thiophene-2-carbonylamino)-4-pyridinyl]anilino]-3-oxopropyl]-tert-butylcarbamic acid
CID 68954544
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride
CID 135456002
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-(4-methylpiperazin-1-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 159916888
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
N-[4-(3-aminophenyl)-6-[4-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 68953110
2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
tert-butyl-[3-[3-[6-[5-chloro-2-(methoxymethoxy)phenyl]-3-cyano-2-(thiophene-2-carbonylamino)-4-pyridinyl]anilino]-3-oxopropyl]carbamic acid
CID 68959753
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide (CID 68957090) is N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide is COCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CN(C)C)c2)c(C#N)c(N)n1.
What is the InChIKey of N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is DEFKKXNYOOYGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-30(2)13-23(31)28-17-6-4-5-15(9-17)19-11-21(29-24(27)20(19)12-26)18-8-7-16(25)10-22(18)33-14-32-3/h4-11H,13-14H2,1-3H3,(H2,27,29)(H,28,31).
What are the key properties of N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide?
N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 449.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-4-pyridinyl]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 68957090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).